![Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl ester structure](/static/products/890/89080-90-0.png)
Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl ester
TL;DR: Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl ester (CAS 89080-90-0) is a chemical compound with molecular formula C14H13NO3S and molecular weight 275.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-thiophen-3-ylacetyl)amino]benzoate
Also Known As: Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl ester, methyl 2-[(2-thiophen-3-ylacetyl)amino]benzoate, methyl 2-[2-(thiophen-3-yl)acetamido]benzoate, AB00744956-01
| Molecular Formula | C14H13NO3S |
|---|---|
| Molecular Weight | 275.06 g/mol |
| LogP | 2.7159 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.0616 |
| Heavy Atoms | 19 |
| Complexity | 578.13684 |
Chemical Identifiers
| CAS Number | 89080-90-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CC2=CSC=C2 |
Product Overview
Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl ester (CAS 89080-90-0), with molecular formula C14H13NO3S and molecular weight 275.06 g/mol. IUPAC: methyl 2-[(2-thiophen-3-ylacetyl)amino]benzoate.
Chemical Property Profile of Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl ester
Property Insights of Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl ester
The XLogP value of 2.7159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl ester has 1 hydrogen bond donor(s) and 4 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, 2-[(3-thienylacetyl)amino]-, methyl ester?
The CAS number of Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl ester is 89080-90-0.
What is the molecular formula of Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl ester?
The molecular formula of Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl ester is C14H13NO3S.
What is the molecular weight of Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl ester?
The molecular weight of Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl ester is 275.06 g/mol.
Where can I buy Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl ester?
You can request a quote for Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl 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, 2-[(3-thienylacetyl)amino]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[(3-thienylacetyl)amino]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.