[email protected]
CAS 17243-13-9 5-CHLOROSULFONYL-2-HYDROXYBENZOIC ACID molecular structure lightbox
CAS RN: 17243-13-9

5-CHLOROSULFONYL-2-HYDROXYBENZOIC ACID

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250527 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS17243-13-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

17243-13-9 / 5-chlorosulfonyl-2-hydroxybenzoic acid

Standard CAS: 17243-13-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17243-13-9
Multi CAS
No
Molecular Formula
C7H5ClO5S
Molecular Weight
236.630000
Exact Mass
235.954622
SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)C(=O)O)O
InChI
InChI=1S/C7H5ClO5S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKey
SJXHSFSHNKFRLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.1
TPSA
91.67

LogP / Solubility

WLOGP
1.02
MLOGP
0.9
XLogP3
2.6
Consensus LogP
1.51
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.44

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us