Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester
TL;DR: Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester (CAS 160092-87-5) is a chemical compound with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethoxycarbonylanilino)-pyridin-3-ylmethyl]sulfanylacetic acid
Also Known As: 1-Ethyl 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)benzoate, Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester, 2-[(4-ethoxycarbonylanilino)-pyridin-3-ylmethyl]sulfanylacetic acid, ({[4-(Ethoxycarbonyl)anilino](pyridin-3-yl)methyl}sulfanyl)acetic acid, RefChem:327274
| Molecular Formula | C17H18N2O4S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 3.1868 |
| Topological Polar Surface Area | 88.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.09872 |
| Heavy Atoms | 24 |
| Complexity | 676.7497 |
Chemical Identifiers
| CAS Number | 160092-87-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(C2=CN=CC=C2)SCC(=O)O |
Product Overview
Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester (CAS 160092-87-5), with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol. IUPAC: 2-[(4-ethoxycarbonylanilino)-pyridin-3-ylmethyl]sulfanylacetic acid.
Chemical Property Profile of Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester
Property Insights of Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester
The XLogP value of 3.1868 indicates that Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester has 2 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 Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester?
The CAS number of Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester is 160092-87-5.
What is the molecular formula of Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester?
The molecular formula of Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester is C17H18N2O4S.
What is the molecular weight of Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester?
The molecular weight of Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester is 346.10 g/mol.
Where can I buy Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester?
You can request a quote for Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((((carboxymethyl)thio)-3-pyridinylmethyl)amino)-, 1-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.