Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride
TL;DR: Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride (CAS 58840-79-2) is a chemical compound with molecular formula C11H15ClN2O4 and molecular weight 274.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-amino-3-(4-nitrophenyl)propanoate;hydrochloride
Also Known As: H-Phe(4-NO2)-OEt.HCl, h-4-nitro-phe-oet hcl, h-phe(4-no2)-oet hcl, H-4-Nitro-Phe-OEt . HCl, 4-NO2-Phe-Oet.HCl
| Molecular Formula | C11H15ClN2O4 |
|---|---|
| Molecular Weight | 274.07 g/mol |
| LogP | 1.4495 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.07202 |
| Heavy Atoms | 18 |
| Complexity | 408.00916 |
Chemical Identifiers
| CAS Number | 58840-79-2 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])N.Cl |
Product Overview
Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride (CAS 58840-79-2), with molecular formula C11H15ClN2O4 and molecular weight 274.07 g/mol. IUPAC: ethyl (2S)-2-amino-3-(4-nitrophenyl)propanoate;hydrochloride.
Chemical Property Profile of Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride
Property Insights of Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride
The XLogP value of 1.4495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride. Following Lipinski's Rule of Five, Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride 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 Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride?
The CAS number of Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride is 58840-79-2.
What is the molecular formula of Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride?
The molecular formula of Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride is C11H15ClN2O4.
What is the molecular weight of Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride?
The molecular weight of Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride is 274.07 g/mol.
Where can I buy Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride?
You can request a quote for Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.