CAS RN: 401892-81-7
3-Pentafluorosulfur benzoyl chloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250903 | 25g | Out of stock | Inquiry |
- Product code: starshine_CAS401892-81-7
- Purity/Analytical Methods: >99.0%
401892-81-7 / 3-(pentafluoro-lambda6-sulfanyl)benzoyl chloride
Basic Information
CAS
401892-81-7
Multi CAS
No
Molecular Formula
C7H4CLF5OS
Molecular Weight
266.620000
Exact Mass
265.959154
InChI
InChI=1S/C7H4ClF5OS/c8-7(14)5-2-1-3-6(4-5)15(9,10,11,12)13/h1-4H
InChIKey
IDHIADOQLRPGHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
48.02
TPSA
17.07
LogP / Solubility
WLOGP
4.72
MLOGP
4.16
XLogP3
5.7
Consensus LogP
4.86
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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