2-((Carboxymethyl)thio)-5-nitrobenzoic acid
TL;DR: 2-((Carboxymethyl)thio)-5-nitrobenzoic acid (CAS 26759-50-2) is a chemical compound with molecular formula C9H7NO6S and molecular weight 257.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethylsulfanyl)-5-nitrobenzoic acid
Also Known As: 2-[(carboxymethyl)thio]-5-nitrobenzoic acid, 2-((Carboxymethyl)thio)-5-nitrobenzoic acid, EINECS 247-970-3, 2-[(carboxymethyl)sulfanyl]-5-nitrobenzoic acid, 2-carboxymethylthio-5-nitro-benzoic acid
| Molecular Formula | C9H7NO6S |
|---|---|
| Molecular Weight | 257.00 g/mol |
| LogP | 1.4697 |
| Topological Polar Surface Area | 117.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.99942 |
| Heavy Atoms | 17 |
| Complexity | 486.37445 |
Chemical Identifiers
| CAS Number | 26759-50-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)SCC(=O)O |
Product Overview
2-((Carboxymethyl)thio)-5-nitrobenzoic acid (CAS 26759-50-2), with molecular formula C9H7NO6S and molecular weight 257.00 g/mol. IUPAC: 2-(carboxymethylsulfanyl)-5-nitrobenzoic acid.
Chemical Property Profile of 2-((Carboxymethyl)thio)-5-nitrobenzoic acid
Property Insights of 2-((Carboxymethyl)thio)-5-nitrobenzoic acid
The XLogP value of 1.4697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Carboxymethyl)thio)-5-nitrobenzoic acid. The TPSA of 117.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Carboxymethyl)thio)-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-((Carboxymethyl)thio)-5-nitrobenzoic acid has 2 hydrogen bond donor(s) and 5 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 2-((Carboxymethyl)thio)-5-nitrobenzoic acid?
The CAS number of 2-((Carboxymethyl)thio)-5-nitrobenzoic acid is 26759-50-2.
What is the molecular formula of 2-((Carboxymethyl)thio)-5-nitrobenzoic acid?
The molecular formula of 2-((Carboxymethyl)thio)-5-nitrobenzoic acid is C9H7NO6S.
What is the molecular weight of 2-((Carboxymethyl)thio)-5-nitrobenzoic acid?
The molecular weight of 2-((Carboxymethyl)thio)-5-nitrobenzoic acid is 257.00 g/mol.
Where can I buy 2-((Carboxymethyl)thio)-5-nitrobenzoic acid?
You can request a quote for 2-((Carboxymethyl)thio)-5-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Carboxymethyl)thio)-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((Carboxymethyl)thio)-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.