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CAS 6627-59-4 Sodium 2-Amino-4-chloro-5-methylbenzenesulfonate molecular structure lightbox
CAS RN: 6627-59-4

Sodium 2-Amino-4-chloro-5-methylbenzenesulfonate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251220 100g In stock Inquiry
Batchno.20250808 1kg In stock Inquiry
Batchno.20251013 25g In stock Inquiry
Batchno.20250220 500g In stock Inquiry
  • Product code: SSC-175905
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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: 500g
  • 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 6627-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞97% 0 Out of Stock Shenzhen Inquiry

6627-59-4 / sodium 2-amino-4-chloro-5-methylbenzenesulfonate

Standard CAS: 6627-59-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6627-59-4
Multi CAS
Yes
Molecular Formula
C7H7CLNNAO3S
Molecular Weight
243.640000
Exact Mass
242.973286
InChI
InChI=1S/C7H8ClNO3S.Na/c1-4-2-7(13(10,11)12)6(9)3-5(4)8;/h2-3H,9H2,1H3,(H,10,11,12);/q;+1/p-1
InChIKey
KMIGBVSYNVXBEI-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.56
TPSA
83.22

LogP / Solubility

WLOGP
-1.86
MLOGP
-1.63
XLogP3
-1.86
Consensus LogP
-1.78
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.21
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.18
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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