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CAS 63914-81-8 2-(Chlorosulfonyl)benzoic acid molecular structure lightbox
CAS RN: 63914-81-8

2-(Chlorosulfonyl)benzoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250519 100mg / 250mg / 1g Confirm by inquiry Hebei, Shanghai Inquiry
  • Product code: SSC-173712
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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
  • 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 63914-81-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

63914-81-8 / 2-chlorosulfonylbenzoic acid

Standard CAS: 63914-81-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
63914-81-8
Multi CAS
No
Molecular Formula
C7H5CLO4S
Molecular Weight
220.630000
Exact Mass
219.959708
InChI
InChI=1S/C7H5ClO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChIKey
ZRWICZHXYMHBDP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.44
TPSA
71.44

LogP / Solubility

WLOGP
1.31
MLOGP
1.16
XLogP3
1.5
Consensus LogP
1.32
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-3.13

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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