![3-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid structure](/static/products/6922/692272-94-9.webp)
3-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid
TL;DR: 3-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid (CAS 692272-94-9) is a chemical compound with molecular formula C13H15NO5 and molecular weight 265.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-carboxy-3-methylbutanoyl)amino]benzoic acid
Also Known As: ChemDiv3_004814, CBKinase1_003165, CBKinase1_015565, IDI1_022724, 3-[(4-carboxy-3-methylbutanoyl)amino]benzoic acid
| Molecular Formula | C13H15NO5 |
|---|---|
| Molecular Weight | 265.10 g/mol |
| LogP | 1.8242 |
| Topological Polar Surface Area | 103.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 265.09503 |
| Heavy Atoms | 19 |
| Complexity | 497.56186 |
Chemical Identifiers
| CAS Number | 692272-94-9 |
|---|---|
| SMILES | CC(CC(=O)NC1=CC=CC(=C1)C(=O)O)CC(=O)O |
Product Overview
3-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid (CAS 692272-94-9), with molecular formula C13H15NO5 and molecular weight 265.10 g/mol. IUPAC: 3-[(4-carboxy-3-methylbutanoyl)amino]benzoic acid.
Chemical Property Profile of 3-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid
Property Insights of 3-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid
The XLogP value of 1.8242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid. The TPSA of 103.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid has 3 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-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid?
The CAS number of 3-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid is 692272-94-9.
What is the molecular formula of 3-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid?
The molecular formula of 3-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid is C13H15NO5.
What is the molecular weight of 3-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid?
The molecular weight of 3-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid is 265.10 g/mol.
Where can I buy 3-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid?
You can request a quote for 3-[(4-Carboxy-3-methylbutanoyl)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-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Carboxy-3-methylbutanoyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.