CAS RN: 351003-38-8
3-(DIFLUOROMETHOXY)BENZENESULFONYL CHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260507 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS351003-38-8
- Purity/Analytical Methods: >99.0%
351003-38-8 / 3-(difluoromethoxy)benzenesulfonyl chloride
Basic Information
CAS
351003-38-8
Multi CAS
No
Molecular Formula
C7H5CLF2O3S
Molecular Weight
242.630000
Exact Mass
241.961599
InChI
InChI=1S/C7H5ClF2O3S/c8-14(11,12)6-3-1-2-5(4-6)13-7(9)10/h1-4,7H
InChIKey
VKSMJFRQQMGYHS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
46.11
TPSA
43.37
LogP / Solubility
WLOGP
2.22
MLOGP
1.95
XLogP3
2.6
Consensus LogP
2.26
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble
ADME
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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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