Methyl 2-amino-3-(4-nitrophenyl)propanoate
TL;DR: Methyl 2-amino-3-(4-nitrophenyl)propanoate (CAS 86770-74-3) is a chemical compound with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-3-(4-nitrophenyl)propanoate
Also Known As: 4-Nitro-phenylalanine methyl ester, Methyl 2-amino-3-(4-nitrophenyl)propanoate, methyl 4-nitrophenylalaninate, H-Phe(4-NO2)-OMe.HCl, 4-Nitrophenylalanine, methyl ester
| Molecular Formula | C10H12N2O4 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.07971 |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 86770-74-3 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])N |
| InChIKey | FUFUQQWIXMPZFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-amino-3-(4-nitrophenyl)propanoate (CAS 86770-74-3), with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol. IUPAC: methyl 2-amino-3-(4-nitrophenyl)propanoate.
Chemical Property Profile of Methyl 2-amino-3-(4-nitrophenyl)propanoate
Property Insights of Methyl 2-amino-3-(4-nitrophenyl)propanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-amino-3-(4-nitrophenyl)propanoate. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-amino-3-(4-nitrophenyl)propanoate. Following Lipinski's Rule of Five, Methyl 2-amino-3-(4-nitrophenyl)propanoate 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 Methyl 2-amino-3-(4-nitrophenyl)propanoate?
The CAS number of Methyl 2-amino-3-(4-nitrophenyl)propanoate is 86770-74-3.
What is the molecular formula of Methyl 2-amino-3-(4-nitrophenyl)propanoate?
The molecular formula of Methyl 2-amino-3-(4-nitrophenyl)propanoate is C10H12N2O4.
What is the molecular weight of Methyl 2-amino-3-(4-nitrophenyl)propanoate?
The molecular weight of Methyl 2-amino-3-(4-nitrophenyl)propanoate is 224.08 g/mol.
Where can I buy Methyl 2-amino-3-(4-nitrophenyl)propanoate?
You can request a quote for Methyl 2-amino-3-(4-nitrophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-amino-3-(4-nitrophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-amino-3-(4-nitrophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.