4-Nitro-L-phenylalanine methyl ester
TL;DR: 4-Nitro-L-phenylalanine methyl ester (CAS 17193-40-7) 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 (2S)-2-amino-3-(4-nitrophenyl)propanoate
Also Known As: 4-Nitro-phenylalanine methyl ester, methyl 4-nitrophenylalaninate, (S)-Methyl 2-amino-3-(4-nitrophenyl)propanoate, Zolmitriptan Impurity 29, H-Phe(4-NO2)-OMe.HCl
| Molecular Formula | C10H12N2O4 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 0.6376 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.07971 |
| Heavy Atoms | 16 |
| Complexity | 388.31042 |
Chemical Identifiers
| CAS Number | 17193-40-7 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])N |
Product Overview
4-Nitro-L-phenylalanine methyl ester (CAS 17193-40-7), with molecular formula C10H12N2O4 and molecular weight 224.08 g/mol. IUPAC: methyl (2S)-2-amino-3-(4-nitrophenyl)propanoate.
Chemical Property Profile of 4-Nitro-L-phenylalanine methyl ester
Property Insights of 4-Nitro-L-phenylalanine methyl ester
The XLogP value of 0.6376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-L-phenylalanine methyl ester. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-L-phenylalanine methyl ester. Following Lipinski's Rule of Five, 4-Nitro-L-phenylalanine methyl 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 4-Nitro-L-phenylalanine methyl ester?
The CAS number of 4-Nitro-L-phenylalanine methyl ester is 17193-40-7.
What is the molecular formula of 4-Nitro-L-phenylalanine methyl ester?
The molecular formula of 4-Nitro-L-phenylalanine methyl ester is C10H12N2O4.
What is the molecular weight of 4-Nitro-L-phenylalanine methyl ester?
The molecular weight of 4-Nitro-L-phenylalanine methyl ester is 224.08 g/mol.
Where can I buy 4-Nitro-L-phenylalanine methyl ester?
You can request a quote for 4-Nitro-L-phenylalanine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-L-phenylalanine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-L-phenylalanine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.