N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester
TL;DR: N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester (CAS 3338-35-0) is a chemical compound with molecular formula C19H18N2O4 and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: DL-N-Benzyloxycarbonyl-3-phenylalanine cyanomethyl ester, cyanomethyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate, D-N-Benzyloxycarbonyl-3-phenylalanine cyanomethyl ester, ALANINE, N-BENZYLOXYCARBONYL-3-PHENYL-, CYANOMETHYL ESTER, DL-, N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester
| Molecular Formula | C19H18N2O4 |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 338.12665 |
| Heavy Atoms | 25 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 3338-35-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)OCC#N)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | QDAFQGLLNQPQAT-UHFFFAOYSA-N |
Product Overview
N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester (CAS 3338-35-0), with molecular formula C19H18N2O4 and molecular weight 338.13 g/mol. IUPAC: cyanomethyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester
Property Insights of N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester
The XLogP value of 3.1 indicates that N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester. Following Lipinski's Rule of Five, N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester has 1 hydrogen bond donor(s) and 5 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-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester?
The CAS number of N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester is 3338-35-0.
What is the molecular formula of N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester?
The molecular formula of N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester is C19H18N2O4.
What is the molecular weight of N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester?
The molecular weight of N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester is 338.13 g/mol.
Where can I buy N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester?
You can request a quote for N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-((Phenylmethoxy)carbonyl)phenylalanine cyanomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.