4-Chlorosulfonyl-2-nitrobenzoic acid
TL;DR: 4-Chlorosulfonyl-2-nitrobenzoic acid (CAS 54090-40-3) is a chemical compound with molecular formula C7H4ClNO6S and molecular weight 264.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorosulfonyl-2-nitrobenzoic acid
Also Known As: 4-(Chlorosulfonyl)-2-nitrobenzoic Acid, 4-chlorosulfonyl-2-nitrobenzoic acid, starbld0009504, Benzoic acid, 4-(chlorosulfonyl)-2-nitro-, 4-chlorosulfonyl-2-nitro-benzoic Acid
| Molecular Formula | C7H4ClNO6S |
|---|---|
| Molecular Weight | 264.94 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.9448 |
| Heavy Atoms | 16 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 54090-40-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)Cl)[N+](=O)[O-])C(=O)O |
| InChIKey | LJFTVGHGRFQBNF-UHFFFAOYSA-N |
Product Overview
4-Chlorosulfonyl-2-nitrobenzoic acid (CAS 54090-40-3), with molecular formula C7H4ClNO6S and molecular weight 264.94 g/mol. IUPAC: 4-chlorosulfonyl-2-nitrobenzoic acid.
Chemical Property Profile of 4-Chlorosulfonyl-2-nitrobenzoic acid
Property Insights of 4-Chlorosulfonyl-2-nitrobenzoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorosulfonyl-2-nitrobenzoic acid. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorosulfonyl-2-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-Chlorosulfonyl-2-nitrobenzoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chlorosulfonyl-2-nitrobenzoic acid?
The CAS number of 4-Chlorosulfonyl-2-nitrobenzoic acid is 54090-40-3.
What is the molecular formula of 4-Chlorosulfonyl-2-nitrobenzoic acid?
The molecular formula of 4-Chlorosulfonyl-2-nitrobenzoic acid is C7H4ClNO6S.
What is the molecular weight of 4-Chlorosulfonyl-2-nitrobenzoic acid?
The molecular weight of 4-Chlorosulfonyl-2-nitrobenzoic acid is 264.94 g/mol.
Where can I buy 4-Chlorosulfonyl-2-nitrobenzoic acid?
You can request a quote for 4-Chlorosulfonyl-2-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorosulfonyl-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorosulfonyl-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.