CAS RN: 549547-34-4
BENZENESULFONYL CHLORIDE, 4-(4-CHLOROPHENOXY)-3,5-DIFLUORO-
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.20260403 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS549547-34-4
- Purity/Analytical Methods: >99.0%
549547-34-4 / 4-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride
Basic Information
CAS
549547-34-4
Multi CAS
No
Molecular Formula
C12H6CL2F2O3S
Molecular Weight
339.100000
Exact Mass
337.938277
InChI
InChI=1S/C12H6Cl2F2O3S/c13-7-1-3-8(4-2-7)19-12-10(15)5-9(6-11(12)16)20(14,17)18/h1-6H
InChIKey
NBWITVOFJWJOEF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
70.92
TPSA
43.37
LogP / Solubility
WLOGP
4.34
MLOGP
3.83
XLogP3
4.3
Consensus LogP
4.16
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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