CAS RN: 368-87-6
Benzenesulfonylfluoride, 4-hydroxy-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-144035
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
368-87-6 / 4-hydroxybenzenesulfonyl fluoride
Basic Information
CAS
368-87-6
Multi CAS
No
Molecular Formula
C6FH5O3S
Molecular Weight
176.170000
Exact Mass
175.994343
InChI
InChI=1S/C6H5FO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H
InChIKey
FYIHSKNNTBQVMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.4
TPSA
54.37
LogP / Solubility
WLOGP
1.05
MLOGP
0.92
XLogP3
1.3
Consensus LogP
1.09
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 368-94-5
- Product Code: starshine_CAS368-94-5
- Purity/Analytical method: >99.0%
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