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Benzoic acid, 3-[(mercaptoacetyl)amino]-
TL;DR: Benzoic acid, 3-[(mercaptoacetyl)amino]- (CAS 62393-22-0) is a chemical compound with molecular formula C9H9NO3S and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-sulfanylacetyl)amino]benzoic acid
Also Known As: Benzoic acid, 3-[(mercaptoacetyl)amino]-, 3-[(2-sulfanylacetyl)amino]benzoic Acid, 3-(2-SULFANYLACETAMIDO)BENZOIC ACID
| Molecular Formula | C9H9NO3S |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | 1.2531 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.03032 |
| Heavy Atoms | 14 |
| Complexity | 364.82962 |
Chemical Identifiers
| CAS Number | 62393-22-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CS)C(=O)O |
Product Overview
Benzoic acid, 3-[(mercaptoacetyl)amino]- (CAS 62393-22-0), with molecular formula C9H9NO3S and molecular weight 211.03 g/mol. IUPAC: 3-[(2-sulfanylacetyl)amino]benzoic acid.
Chemical Property Profile of Benzoic acid, 3-[(mercaptoacetyl)amino]-
Property Insights of Benzoic acid, 3-[(mercaptoacetyl)amino]-
The XLogP value of 1.2531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-[(mercaptoacetyl)amino]-. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-[(mercaptoacetyl)amino]-. Following Lipinski's Rule of Five, Benzoic acid, 3-[(mercaptoacetyl)amino]- has 3 hydrogen bond donor(s) and 3 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 Benzoic acid, 3-[(mercaptoacetyl)amino]-?
The CAS number of Benzoic acid, 3-[(mercaptoacetyl)amino]- is 62393-22-0.
What is the molecular formula of Benzoic acid, 3-[(mercaptoacetyl)amino]-?
The molecular formula of Benzoic acid, 3-[(mercaptoacetyl)amino]- is C9H9NO3S.
What is the molecular weight of Benzoic acid, 3-[(mercaptoacetyl)amino]-?
The molecular weight of Benzoic acid, 3-[(mercaptoacetyl)amino]- is 211.03 g/mol.
Where can I buy Benzoic acid, 3-[(mercaptoacetyl)amino]-?
You can request a quote for Benzoic acid, 3-[(mercaptoacetyl)amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-[(mercaptoacetyl)amino]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-[(mercaptoacetyl)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.