![3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid structure](/static/products/3353/335394-27-9.webp)
3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid
TL;DR: 3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid (CAS 335394-27-9) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carbonyl)amino]benzoic acid
Also Known As: 3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid, 3-(2-Methyl-4,5,6,7-tetrahydrobenzofuran-3-carboxamido)benzoic acid, BAS 02826121, 3-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-amido)benzoic acid, A2467/0104728
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 335394-27-9 |
|---|---|
| SMILES | CC1=C(C2=C(O1)CCCC2)C(=O)NC3=CC=CC(=C3)C(=O)O |
| InChIKey | GYIRFGYREKCEGK-UHFFFAOYSA-N |
Product Overview
3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid (CAS 335394-27-9), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: 3-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carbonyl)amino]benzoic acid.
Chemical Property Profile of 3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid
Property Insights of 3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid
The XLogP value of 3.0 indicates that 3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid. Following Lipinski's Rule of Five, 3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid has 2 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 3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid?
The CAS number of 3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid is 335394-27-9.
What is the molecular formula of 3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid?
The molecular formula of 3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid is C17H17NO4.
What is the molecular weight of 3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid?
The molecular weight of 3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid is 299.12 g/mol.
Where can I buy 3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid?
You can request a quote for 3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-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-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.