![3-[(2-Thienylmethyl)amino]benzoic acid structure](/static/products/869/869947-84-2.png)
3-[(2-Thienylmethyl)amino]benzoic acid
TL;DR: 3-[(2-Thienylmethyl)amino]benzoic acid (CAS 869947-84-2) is a chemical compound with molecular formula C12H11NO2S and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(thiophen-2-ylmethylamino)benzoic acid
Also Known As: 3-[(2-thienylmethyl)amino]benzoic acid, 3-(thiophen-2-ylmethylamino)benzoic acid, 3-[ AMINO]BENZOICACID, BEN654, 3-((Thiophen-2-ylmethyl)amino)benzoic acid
| Molecular Formula | C12H11NO2S |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 3.0584 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.05106 |
| Heavy Atoms | 16 |
| Complexity | 479.5238 |
Chemical Identifiers
| CAS Number | 869947-84-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NCC2=CC=CS2)C(=O)O |
Product Overview
3-[(2-Thienylmethyl)amino]benzoic acid (CAS 869947-84-2), with molecular formula C12H11NO2S and molecular weight 233.05 g/mol. IUPAC: 3-(thiophen-2-ylmethylamino)benzoic acid.
Chemical Property Profile of 3-[(2-Thienylmethyl)amino]benzoic acid
Property Insights of 3-[(2-Thienylmethyl)amino]benzoic acid
The XLogP value of 3.0584 indicates that 3-[(2-Thienylmethyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, 3-[(2-Thienylmethyl)amino]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-Thienylmethyl)amino]benzoic acid has 2 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-[(2-Thienylmethyl)amino]benzoic acid?
The CAS number of 3-[(2-Thienylmethyl)amino]benzoic acid is 869947-84-2.
What is the molecular formula of 3-[(2-Thienylmethyl)amino]benzoic acid?
The molecular formula of 3-[(2-Thienylmethyl)amino]benzoic acid is C12H11NO2S.
What is the molecular weight of 3-[(2-Thienylmethyl)amino]benzoic acid?
The molecular weight of 3-[(2-Thienylmethyl)amino]benzoic acid is 233.05 g/mol.
Where can I buy 3-[(2-Thienylmethyl)amino]benzoic acid?
You can request a quote for 3-[(2-Thienylmethyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-Thienylmethyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Thienylmethyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.