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CAS 56157-93-8 3-Hydroxybenzenesulfonyl Chloride molecular structure lightbox
CAS RN: 56157-93-8

3-Hydroxybenzenesulfonyl Chloride

  • Product code: SSC-164134
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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: 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 56157-93-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

56157-93-8 / 3-hydroxybenzenesulfonyl chloride

Standard CAS: 56157-93-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56157-93-8
Multi CAS
No
Molecular Formula
C6H5CLO3S
Molecular Weight
192.620000
Exact Mass
191.964793
InChI
InChI=1S/C6H5ClO3S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4,8H
InChIKey
KVJJEIFIJQCJSP-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
41.15
TPSA
54.37

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
1.6
Consensus LogP
1.36
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-2.96

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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