2-Benzamidobutanoic acid
TL;DR: 2-Benzamidobutanoic acid (CAS 87068-75-5) 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-benzamidobutanoic acid
Also Known As: 2-benzamidobutanoic acid, 2-(phenylformamido)butanoic acid, Benzoylaminobuttersaure, 2-(Benzoylamino)butanoic acid, 2-(Benzoylamino)butyric acid
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 87068-75-5 |
|---|---|
| SMILES | CCC(C(=O)O)NC(=O)C1=CC=CC=C1 |
| InChIKey | OACIMSFRSUBGQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzamidobutanoic acid (CAS 87068-75-5), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 2-benzamidobutanoic acid.
Chemical Property Profile of 2-Benzamidobutanoic acid
Property Insights of 2-Benzamidobutanoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzamidobutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzamidobutanoic acid. Following Lipinski's Rule of Five, 2-Benzamidobutanoic acid has 2 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 2-Benzamidobutanoic acid?
The CAS number of 2-Benzamidobutanoic acid is 87068-75-5.
What is the molecular formula of 2-Benzamidobutanoic acid?
The molecular formula of 2-Benzamidobutanoic acid is C11H13NO3.
What is the molecular weight of 2-Benzamidobutanoic acid?
The molecular weight of 2-Benzamidobutanoic acid is 207.09 g/mol.
Where can I buy 2-Benzamidobutanoic acid?
You can request a quote for 2-Benzamidobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzamidobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzamidobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.