N-carbonyl l-phenylalanine ethyl ester
TL;DR: N-carbonyl l-phenylalanine ethyl ester (CAS 37682-80-7) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-isocyanato-3-phenylpropanoate
Also Known As: N-carbonyl l-phenylalanine ethyl ester, n-carbonyl-l-phenylalanine ethyl ester, ethyl (2S)-2-isocyanato-3-phenylpropanoate, J1.848.057C, 2-isocyanato-3-phenyl-propionic acid ethyl ester
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.4966 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 382.51016 |
Chemical Identifiers
| CAS Number | 37682-80-7 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC=CC=C1)N=C=O |
Product Overview
N-carbonyl l-phenylalanine ethyl ester (CAS 37682-80-7), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: ethyl (2S)-2-isocyanato-3-phenylpropanoate.
Chemical Property Profile of N-carbonyl l-phenylalanine ethyl ester
Property Insights of N-carbonyl l-phenylalanine ethyl ester
The XLogP value of 1.4966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-carbonyl l-phenylalanine ethyl ester. With a topological polar surface area (TPSA) of 55.73 Ų, N-carbonyl l-phenylalanine ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-carbonyl l-phenylalanine ethyl ester has 0 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 N-carbonyl l-phenylalanine ethyl ester?
The CAS number of N-carbonyl l-phenylalanine ethyl ester is 37682-80-7.
What is the molecular formula of N-carbonyl l-phenylalanine ethyl ester?
The molecular formula of N-carbonyl l-phenylalanine ethyl ester is C12H13NO3.
What is the molecular weight of N-carbonyl l-phenylalanine ethyl ester?
The molecular weight of N-carbonyl l-phenylalanine ethyl ester is 219.09 g/mol.
Where can I buy N-carbonyl l-phenylalanine ethyl ester?
You can request a quote for N-carbonyl l-phenylalanine ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-carbonyl l-phenylalanine ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-carbonyl l-phenylalanine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.