N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate
TL;DR: N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate (CAS 91237-20-6) is a chemical compound with molecular formula C25H23N2O6- and molecular weight 447.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2S)-2-carboxy-2-[(1-carboxy-2-phenylethyl)amino]ethyl]anilino]benzoate
Also Known As: N-Cppab, N-(1-(R,S)-Carboxy-2-phenylethyl)-phe-p-AB, 4-Piperazinylphenylboronic acid,pinacol ester, N-(1-Carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate, 2-[4-[(2S)-2-carboxy-2-[(1-carboxy-2-phenylethyl)amino]ethyl]anilino]benzoate
| Molecular Formula | C25H23N2O6- |
|---|---|
| Molecular Weight | 447.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 447.1556 |
| Heavy Atoms | 33 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 91237-20-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)N[C@@H](CC2=CC=C(C=C2)NC3=CC=CC=C3C(=O)[O-])C(=O)O |
| InChIKey | PENOWLRGYBCUSJ-KEKNWZKVSA-M |
Product Overview
N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate (CAS 91237-20-6), with molecular formula C25H23N2O6- and molecular weight 447.16 g/mol. IUPAC: 2-[4-[(2S)-2-carboxy-2-[(1-carboxy-2-phenylethyl)amino]ethyl]anilino]benzoate.
Chemical Property Profile of N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate
Property Insights of N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate
The XLogP value of 3.0 indicates that N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate. Following Lipinski's Rule of Five, N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate has 4 hydrogen bond donor(s) and 8 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 N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate?
The CAS number of N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate is 91237-20-6.
What is the molecular formula of N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate?
The molecular formula of N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate is C25H23N2O6-.
What is the molecular weight of N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate?
The molecular weight of N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate is 447.16 g/mol.
Where can I buy N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate?
You can request a quote for N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for N-(1-carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.