3-Carboxy-N-(2-thenylidene)aniline
TL;DR: 3-Carboxy-N-(2-thenylidene)aniline (CAS 64857-03-0) is a chemical compound with molecular formula C12H9NO2S and molecular weight 231.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(thiophen-2-ylmethylideneamino)benzoic acid
Also Known As: 3-CARBOXY-N-(2-THENYLIDENE)ANILINE, 3-[(2-Thenylidene)amino]benzoic acid, 3-(2-Thienylmethyleneamino)benzoic acid, 3-(thiophen-2-ylmethylideneamino)benzoic Acid, J3.621.597F
| Molecular Formula | C12H9NO2S |
|---|---|
| Molecular Weight | 231.04 g/mol |
| LogP | 3.1969 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.0354 |
| Heavy Atoms | 16 |
| Complexity | 517.5748 |
Chemical Identifiers
| CAS Number | 64857-03-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N=CC2=CC=CS2)C(=O)O |
Product Overview
3-Carboxy-N-(2-thenylidene)aniline (CAS 64857-03-0), with molecular formula C12H9NO2S and molecular weight 231.04 g/mol. IUPAC: 3-(thiophen-2-ylmethylideneamino)benzoic acid.
Chemical Property Profile of 3-Carboxy-N-(2-thenylidene)aniline
Property Insights of 3-Carboxy-N-(2-thenylidene)aniline
The XLogP value of 3.1969 indicates that 3-Carboxy-N-(2-thenylidene)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.66 Ų, 3-Carboxy-N-(2-thenylidene)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Carboxy-N-(2-thenylidene)aniline has 1 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 3-Carboxy-N-(2-thenylidene)aniline?
The CAS number of 3-Carboxy-N-(2-thenylidene)aniline is 64857-03-0.
What is the molecular formula of 3-Carboxy-N-(2-thenylidene)aniline?
The molecular formula of 3-Carboxy-N-(2-thenylidene)aniline is C12H9NO2S.
What is the molecular weight of 3-Carboxy-N-(2-thenylidene)aniline?
The molecular weight of 3-Carboxy-N-(2-thenylidene)aniline is 231.04 g/mol.
Where can I buy 3-Carboxy-N-(2-thenylidene)aniline?
You can request a quote for 3-Carboxy-N-(2-thenylidene)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carboxy-N-(2-thenylidene)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxy-N-(2-thenylidene)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.