Methyl N-(anilinocarbonyl)phenylalaninate
TL;DR: Methyl N-(anilinocarbonyl)phenylalaninate (CAS 23631-66-5) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-phenyl-2-(phenylcarbamoylamino)propanoate
Also Known As: Methyl N-(anilinocarbonyl)phenylalaninate, N-phenylcarbamyl-phenylalanine methyl ester, J1.733.030F, N-(Phenylcarbamoyl)-L-phenylalanine methyl ester, L-Phenylalanine, N-[(phenylamino)carbonyl]-, methyl ester
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 23631-66-5 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NC2=CC=CC=C2 |
| InChIKey | UOXKDNFOZSSXEB-HNNXBMFYSA-N |
Product Overview
Methyl N-(anilinocarbonyl)phenylalaninate (CAS 23631-66-5), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: methyl (2S)-3-phenyl-2-(phenylcarbamoylamino)propanoate.
Chemical Property Profile of Methyl N-(anilinocarbonyl)phenylalaninate
Property Insights of Methyl N-(anilinocarbonyl)phenylalaninate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(anilinocarbonyl)phenylalaninate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(anilinocarbonyl)phenylalaninate. Following Lipinski's Rule of Five, Methyl N-(anilinocarbonyl)phenylalaninate 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 Methyl N-(anilinocarbonyl)phenylalaninate?
The CAS number of Methyl N-(anilinocarbonyl)phenylalaninate is 23631-66-5.
What is the molecular formula of Methyl N-(anilinocarbonyl)phenylalaninate?
The molecular formula of Methyl N-(anilinocarbonyl)phenylalaninate is C17H18N2O3.
What is the molecular weight of Methyl N-(anilinocarbonyl)phenylalaninate?
The molecular weight of Methyl N-(anilinocarbonyl)phenylalaninate is 298.13 g/mol.
Where can I buy Methyl N-(anilinocarbonyl)phenylalaninate?
You can request a quote for Methyl N-(anilinocarbonyl)phenylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(anilinocarbonyl)phenylalaninate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(anilinocarbonyl)phenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.