2-(Isobutyrylamino)benzoic acid
TL;DR: 2-(Isobutyrylamino)benzoic acid (CAS 178979-53-8) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropanoylamino)benzoic acid
Also Known As: 2-(isobutyrylamino)benzoic acid, 2-Isobutyramidobenzoic acid, 2-(2-methylpropanoylamino)benzoic Acid, 2-Isobutyramidobenzoicacid, N-isobutyryl-anthranilic acid
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.9793 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 385.17435 |
Chemical Identifiers
| CAS Number | 178979-53-8 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=CC=C1C(=O)O |
Product Overview
2-(Isobutyrylamino)benzoic acid (CAS 178979-53-8), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 2-(2-methylpropanoylamino)benzoic acid.
Chemical Property Profile of 2-(Isobutyrylamino)benzoic acid
Property Insights of 2-(Isobutyrylamino)benzoic acid
The XLogP value of 1.9793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Isobutyrylamino)benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Isobutyrylamino)benzoic acid. Following Lipinski's Rule of Five, 2-(Isobutyrylamino)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 2-(Isobutyrylamino)benzoic acid?
The CAS number of 2-(Isobutyrylamino)benzoic acid is 178979-53-8.
What is the molecular formula of 2-(Isobutyrylamino)benzoic acid?
The molecular formula of 2-(Isobutyrylamino)benzoic acid is C11H13NO3.
What is the molecular weight of 2-(Isobutyrylamino)benzoic acid?
The molecular weight of 2-(Isobutyrylamino)benzoic acid is 207.09 g/mol.
Where can I buy 2-(Isobutyrylamino)benzoic acid?
You can request a quote for 2-(Isobutyrylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Isobutyrylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isobutyrylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.