Home Cart 0 Sign in  

[ CAS No. 24589-78-4 ] {[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| 24589-78-4
Chemical Structure| 24589-78-4
Structure of 24589-78-4 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 24589-78-4 ]

Related Doc. of [ 24589-78-4 ]

Alternatived Products of [ 24589-78-4 ]

Product Details of [ 24589-78-4 ]

CAS No. :24589-78-4 MDL No. :MFCD00000411
Formula : C6H12F3NOSi Boiling Point : -
Linear Structure Formula :- InChI Key :MSPCIZMDDUQPGJ-UHFFFAOYSA-N
M.W : 199.25 Pubchem ID :32510
Synonyms :

Calculated chemistry of [ 24589-78-4 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 42.11
TPSA : 20.31 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) : -5.91 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.16
Log Po/w (XLOGP3) : 2.26
Log Po/w (WLOGP) : 3.1
Log Po/w (MLOGP) : 1.39
Log Po/w (SILICOS-IT) : -0.17
Consensus Log Po/w : 1.75

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.3
Solubility : 0.996 mg/ml ; 0.005 mol/l
Class : Soluble
Log S (Ali) : -2.32
Solubility : 0.947 mg/ml ; 0.00475 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.71
Solubility : 3.88 mg/ml ; 0.0195 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.48

Safety of [ 24589-78-4 ]

Signal Word:Danger Class:3
Precautionary Statements:P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P303+P361+P353-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501 UN#:1993
Hazard Statements:H225-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 24589-78-4 ]

* 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 [ 24589-78-4 ]
  • Downstream synthetic route of [ 24589-78-4 ]

[ 24589-78-4 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 24589-78-4 ]
  • [ 10457-14-4 ]
Reference: [1] Phytochemistry, 1999, vol. 50, # 2, p. 337 - 338
  • 2
  • [ 24589-78-4 ]
  • [ 110-58-7 ]
  • [ 815-06-5 ]
  • [ 18107-22-7 ]
Reference: [1] Phosphorus, Sulfur and Silicon and the Related Elements, 1992, vol. 68, # 1-4, p. 25 - 36
  • 3
  • [ 1852-17-1 ]
  • [ 24589-78-4 ]
  • [ 815-06-5 ]
  • [ 18132-77-9 ]
Reference: [1] Tetrahedron, 1997, vol. 53, # 12, p. 4371 - 4386
Same Skeleton Products
Historical Records