Home Cart 0 Sign in  

[ CAS No. 25561-30-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 25561-30-2
Chemical Structure| 25561-30-2
Structure of 25561-30-2 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 25561-30-2 ]

Related Doc. of [ 25561-30-2 ]

Alternatived Products of [ 25561-30-2 ]

Product Details of [ 25561-30-2 ]

CAS No. :25561-30-2 MDL No. :MFCD00008269
Formula : C8H18F3NOSi2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 257.40 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 25561-30-2 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.88
Num. rotatable bonds : 4
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 61.27
TPSA : 21.59 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.77 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.4
Log Po/w (XLOGP3) : 4.36
Log Po/w (WLOGP) : 4.89
Log Po/w (MLOGP) : 2.43
Log Po/w (SILICOS-IT) : 0.27
Consensus Log Po/w : 3.07

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.92
Solubility : 0.031 mg/ml ; 0.000121 mol/l
Class : Soluble
Log S (Ali) : -4.53
Solubility : 0.00761 mg/ml ; 0.0000296 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.14
Solubility : 0.188 mg/ml ; 0.000731 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.1

Safety of [ 25561-30-2 ]

Signal Word:Danger Class:3,8
Precautionary Statements:P210-P280-P370+P378-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310 UN#:2924
Hazard Statements:H314-H225 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 25561-30-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 25561-30-2 ]
  • Downstream synthetic route of [ 25561-30-2 ]

[ 25561-30-2 ] Synthesis Path-Upstream   1~40

  • 1
  • [ 25561-30-2 ]
  • [ 66-22-8 ]
  • [ 10457-14-4 ]
Reference: [1] Journal of Medicinal Chemistry, 1984, vol. 27, # 8, p. 954 - 958
[2] Journal of Medicinal Chemistry, 1992, vol. 35, # 12, p. 2195 - 2201
  • 2
  • [ 79-14-1 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 33581-77-0 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 3
  • [ 849585-22-4 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 17596-96-2 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 4
  • [ 110-94-1 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55494-07-0 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 5
  • [ 124-04-9 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 18105-31-2 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 6
  • [ 111-14-8 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 25435-96-5 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 7
  • [ 124-07-2 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 8
  • [ 141-82-2 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 18457-04-0 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 9
  • [ 112-05-0 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 10
  • [ 110-15-6 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 40309-57-7 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 11
  • [ 100145-14-0 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 12
  • [ 28664-02-0 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 13
  • [ 144-62-7 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 18294-04-7 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 14
  • [ 25561-30-2 ]
  • [ 99-94-5 ]
  • [ 354-38-1 ]
  • [ 53358-36-4 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 15
  • [ 25561-30-2 ]
  • [ 110-16-7 ]
  • [ 354-38-1 ]
  • [ 23508-82-9 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 16
  • [ 25561-30-2 ]
  • [ 65-85-0 ]
  • [ 354-38-1 ]
  • [ 2078-12-8 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 17
  • [ 25561-30-2 ]
  • [ 142-62-1 ]
  • [ 354-38-1 ]
  • [ 14246-15-2 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 18
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 141-46-8 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 19
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 298-12-4 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 20
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 116-09-6 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 21
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 127-17-3 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 22
  • [ 692-29-5 ]
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 23
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 100-83-4 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 24
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 56-82-6 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 25
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 4426-12-4 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 26
  • [ 473-68-7 ]
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 27
  • [ 132619-41-1 ]
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 28
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 29
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 227183-62-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 30
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 31
  • [ 99265-61-9 ]
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 32
  • [ 473-90-5 ]
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 33
  • [ 328-42-7 ]
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 34
  • [ 542-05-2 ]
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 35
  • [ 328-50-7 ]
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 36
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 37
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 38
  • [ 72915-12-9 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 39
  • [ 141-82-2 ]
  • [ 25561-30-2 ]
  • [ 354-38-1 ]
  • [ 18457-04-0 ]
  • [ 55982-15-5 ]
Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370
  • 40
  • [ 141-82-2 ]
  • [ 25561-30-2 ]
  • [ 18457-04-0 ]
Reference: [1] Central European Journal of Chemistry, 2011, vol. 9, # 5, p. 813 - 824
Same Skeleton Products
Historical Records