Home Cart 0 Sign in  

[ CAS No. 74427-22-8 ] {[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| 74427-22-8
Chemical Structure| 74427-22-8
Structure of 74427-22-8 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 74427-22-8 ]

Related Doc. of [ 74427-22-8 ]

Alternatived Products of [ 74427-22-8 ]

Product Details of [ 74427-22-8 ]

CAS No. :74427-22-8 MDL No. :MFCD02093342
Formula : C3H3F5O3S Boiling Point : -
Linear Structure Formula :- InChI Key :NKULBUOBGILEAR-UHFFFAOYSA-N
M.W : 214.11 Pubchem ID :2774089
Synonyms :

Calculated chemistry of [ 74427-22-8 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 8.0
Num. H-bond donors : 0.0
Molar Refractivity : 26.88
TPSA : 51.75 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) : -6.39 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.17
Log Po/w (XLOGP3) : 1.71
Log Po/w (WLOGP) : 4.3
Log Po/w (MLOGP) : 0.91
Log Po/w (SILICOS-IT) : 1.56
Consensus Log Po/w : 1.93

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.98
Solubility : 2.24 mg/ml ; 0.0105 mol/l
Class : Very soluble
Log S (Ali) : -2.41
Solubility : 0.828 mg/ml ; 0.00387 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.45
Solubility : 7.58 mg/ml ; 0.0354 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.57

Safety of [ 74427-22-8 ]

Signal Word:Danger Class:8,3
Precautionary Statements:P501-P240-P210-P233-P234-P243-P241-P242-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405 UN#:2920
Hazard Statements:H314-H226-H290 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 74427-22-8 ]

* 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 [ 74427-22-8 ]
  • Downstream synthetic route of [ 74427-22-8 ]

[ 74427-22-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 74427-22-8 ]
  • [ 359-13-7 ]
  • [ 1493-13-6 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 1988, vol. 36, # 7, p. 2410 - 2416
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 74427-22-8 ]

Fluorinated Building Blocks

Chemical Structure| 25236-64-0

[ 25236-64-0 ]

2,2,2-Trifluoroethyl methanesulfonate

Similarity: 0.80

Chemical Structure| 103935-47-3

[ 103935-47-3 ]

2-Bromoethyl trifluoromethanesulfonate

Similarity: 0.80

Chemical Structure| 25354-42-1

[ 25354-42-1 ]

Cyclopropyl trifluoromethanesulfonate

Similarity: 0.80

Chemical Structure| 159760-17-5

[ 159760-17-5 ]

2,2,3,3-Tetrafluorobutane-1,4-diyl bis(trifluoromethanesulfonate)

Similarity: 0.75

Chemical Structure| 131929-88-9

[ 131929-88-9 ]

Cyclobutyl trifluoromethanesulfonate

Similarity: 0.75

Aliphatic Chain Hydrocarbons

Chemical Structure| 212556-43-9

[ 212556-43-9 ]

1,1,1-Trifluoropropan-2-yl trifluoromethanesulfonate

Similarity: 0.85

Chemical Structure| 25236-64-0

[ 25236-64-0 ]

2,2,2-Trifluoroethyl methanesulfonate

Similarity: 0.80

Chemical Structure| 103935-47-3

[ 103935-47-3 ]

2-Bromoethyl trifluoromethanesulfonate

Similarity: 0.80

Chemical Structure| 159760-17-5

[ 159760-17-5 ]

2,2,3,3-Tetrafluorobutane-1,4-diyl bis(trifluoromethanesulfonate)

Similarity: 0.75

Chemical Structure| 329710-76-1

[ 329710-76-1 ]

2-(Trifluoromethoxy)ethyl trifluoromethanesulfonate

Similarity: 0.73

Sulfonates

Chemical Structure| 212556-43-9

[ 212556-43-9 ]

1,1,1-Trifluoropropan-2-yl trifluoromethanesulfonate

Similarity: 0.85

Chemical Structure| 25236-64-0

[ 25236-64-0 ]

2,2,2-Trifluoroethyl methanesulfonate

Similarity: 0.80

Chemical Structure| 103935-47-3

[ 103935-47-3 ]

2-Bromoethyl trifluoromethanesulfonate

Similarity: 0.80

Chemical Structure| 25354-42-1

[ 25354-42-1 ]

Cyclopropyl trifluoromethanesulfonate

Similarity: 0.80

Chemical Structure| 159760-17-5

[ 159760-17-5 ]

2,2,3,3-Tetrafluorobutane-1,4-diyl bis(trifluoromethanesulfonate)

Similarity: 0.75

Trifluoromethyls

Chemical Structure| 212556-43-9

[ 212556-43-9 ]

1,1,1-Trifluoropropan-2-yl trifluoromethanesulfonate

Similarity: 0.85

Chemical Structure| 25236-64-0

[ 25236-64-0 ]

2,2,2-Trifluoroethyl methanesulfonate

Similarity: 0.80

Chemical Structure| 103935-47-3

[ 103935-47-3 ]

2-Bromoethyl trifluoromethanesulfonate

Similarity: 0.80

Chemical Structure| 25354-42-1

[ 25354-42-1 ]

Cyclopropyl trifluoromethanesulfonate

Similarity: 0.80

Chemical Structure| 159760-17-5

[ 159760-17-5 ]

2,2,3,3-Tetrafluorobutane-1,4-diyl bis(trifluoromethanesulfonate)

Similarity: 0.75