![3-[(2-Methylbutanoyl)amino]benzoic acid structure](/static/products/890/890983-61-6.png)
3-[(2-Methylbutanoyl)amino]benzoic acid
TL;DR: 3-[(2-Methylbutanoyl)amino]benzoic acid (CAS 890983-61-6) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylbutanoylamino)benzoic acid
Also Known As: 3-[(2-methylbutanoyl)amino]benzoic acid, 3-(2-Methylbutanamido)benzoic acid, 3-(2-methylbutanoylamino)benzoic Acid, 3-[ AMINO]BENZOICACID, 3-(2-Methylbutanamido)benzoicacid
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 2.3694 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 401.00528 |
Chemical Identifiers
| CAS Number | 890983-61-6 |
|---|---|
| SMILES | CCC(C)C(=O)NC1=CC=CC(=C1)C(=O)O |
Product Overview
3-[(2-Methylbutanoyl)amino]benzoic acid (CAS 890983-61-6), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 3-(2-methylbutanoylamino)benzoic acid.
Chemical Property Profile of 3-[(2-Methylbutanoyl)amino]benzoic acid
Property Insights of 3-[(2-Methylbutanoyl)amino]benzoic acid
The XLogP value of 2.3694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Methylbutanoyl)amino]benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Methylbutanoyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(2-Methylbutanoyl)amino]benzoic acid has 2 hydrogen bond donor(s) and 2 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-Methylbutanoyl)amino]benzoic acid?
The CAS number of 3-[(2-Methylbutanoyl)amino]benzoic acid is 890983-61-6.
What is the molecular formula of 3-[(2-Methylbutanoyl)amino]benzoic acid?
The molecular formula of 3-[(2-Methylbutanoyl)amino]benzoic acid is C12H15NO3.
What is the molecular weight of 3-[(2-Methylbutanoyl)amino]benzoic acid?
The molecular weight of 3-[(2-Methylbutanoyl)amino]benzoic acid is 221.11 g/mol.
Where can I buy 3-[(2-Methylbutanoyl)amino]benzoic acid?
You can request a quote for 3-[(2-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-[(2-Methylbutanoyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Methylbutanoyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.