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CAS 23905-46-6 3-ACETYLAMINO-BENZENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 23905-46-6

3-ACETYLAMINO-BENZENESULFONYL CHLORIDE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250804 1g In stock Inquiry
Batchno.20251206 250mg In stock Inquiry
Batchno.20250119 50mg In stock Inquiry
  • Product code: SSC-116797
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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: 1g, 5g
  • Available purity: ＞97%
  • 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 23905-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

23905-46-6 / 3-acetamidobenzenesulfonyl chloride

Standard CAS: 23905-46-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23905-46-6
Multi CAS
No
Molecular Formula
C8H8ClNO3S
Molecular Weight
233.670000
Exact Mass
232.991342
SMILES
CC(=O)NC1=CC(=CC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C8H8ClNO3S/c1-6(11)10-7-3-2-4-8(5-7)14(9,12)13/h2-5H,1H3,(H,10,11)
InChIKey
BSNCGXHXSOEIEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.78
TPSA
63.24

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
1.2
Consensus LogP
1.39
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-3.03

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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