![3-[(n-Acetylphenylalanyl)amino]benzoic acid structure](/static/products/861/86166-57-6.png)
3-[(n-Acetylphenylalanyl)amino]benzoic acid
TL;DR: 3-[(n-Acetylphenylalanyl)amino]benzoic acid (CAS 86166-57-6) is a chemical compound with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-acetamido-3-phenylpropanoyl)amino]benzoic acid
Also Known As: 3-[(n-acetylphenylalanyl)amino]benzoic acid, 3-[(2-acetamido-3-phenylpropanoyl)amino]benzoic acid
| Molecular Formula | C18H18N2O4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.12665 |
| Heavy Atoms | 24 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 86166-57-6 |
|---|---|
| SMILES | CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)O |
| InChIKey | POYSXNXWUJGUJB-UHFFFAOYSA-N |
Product Overview
3-[(n-Acetylphenylalanyl)amino]benzoic acid (CAS 86166-57-6), with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol. IUPAC: 3-[(2-acetamido-3-phenylpropanoyl)amino]benzoic acid.
Chemical Property Profile of 3-[(n-Acetylphenylalanyl)amino]benzoic acid
Property Insights of 3-[(n-Acetylphenylalanyl)amino]benzoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(n-Acetylphenylalanyl)amino]benzoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(n-Acetylphenylalanyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(n-Acetylphenylalanyl)amino]benzoic acid has 3 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-[(n-Acetylphenylalanyl)amino]benzoic acid?
The CAS number of 3-[(n-Acetylphenylalanyl)amino]benzoic acid is 86166-57-6.
What is the molecular formula of 3-[(n-Acetylphenylalanyl)amino]benzoic acid?
The molecular formula of 3-[(n-Acetylphenylalanyl)amino]benzoic acid is C18H18N2O4.
What is the molecular weight of 3-[(n-Acetylphenylalanyl)amino]benzoic acid?
The molecular weight of 3-[(n-Acetylphenylalanyl)amino]benzoic acid is 326.13 g/mol.
Where can I buy 3-[(n-Acetylphenylalanyl)amino]benzoic acid?
You can request a quote for 3-[(n-Acetylphenylalanyl)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-[(n-Acetylphenylalanyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(n-Acetylphenylalanyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.