[email protected]
CAS 22952-43-8 3-Chloro-4-methoxybenzenesulfonyl chloride molecular structure lightbox
CAS RN: 22952-43-8

3-Chloro-4-methoxybenzenesulfonyl chloride

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250201 1g In stock Inquiry
Batchno.20260611 25g In stock Inquiry
Batchno.20260124 5g In stock Inquiry
  • Product code: SSC-111601
GET A QUOTE
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: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 22952-43-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

22952-43-8 / 3-chloro-4-methoxybenzenesulfonyl chloride

Standard CAS: 22952-43-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22952-43-8
Multi CAS
No
Molecular Formula
C7H6Cl2O3S
Molecular Weight
241.090000
Exact Mass
239.941471
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C7H6Cl2O3S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,1H3
InChIKey
UMTPXDWZAKJPNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
51.04
TPSA
43.37

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
2.7
Consensus LogP
2.33
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly 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)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us