methyl (4-nitrobenzoyl)-L-alaninate
TL;DR: methyl (4-nitrobenzoyl)-L-alaninate (CAS 112173-53-2) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(4-nitrobenzoyl)amino]propanoate
Also Known As: N-(p-Nitrobenzoyl)-O-methylalanin, methyl (4-nitrobenzoyl)-L-alaninate, methyl (2S)-2-[(4-nitrobenzoyl)amino]propanoate
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 112173-53-2 |
|---|---|
| SMILES | C[C@@H](C(=O)OC)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | DWCJQSUSRZNHSY-ZETCQYMHSA-N |
Product Overview
methyl (4-nitrobenzoyl)-L-alaninate (CAS 112173-53-2), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: methyl (2S)-2-[(4-nitrobenzoyl)amino]propanoate.
Chemical Property Profile of methyl (4-nitrobenzoyl)-L-alaninate
Property Insights of methyl (4-nitrobenzoyl)-L-alaninate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (4-nitrobenzoyl)-L-alaninate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (4-nitrobenzoyl)-L-alaninate. Following Lipinski's Rule of Five, methyl (4-nitrobenzoyl)-L-alaninate 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 (4-nitrobenzoyl)-L-alaninate?
The CAS number of methyl (4-nitrobenzoyl)-L-alaninate is 112173-53-2.
What is the molecular formula of methyl (4-nitrobenzoyl)-L-alaninate?
The molecular formula of methyl (4-nitrobenzoyl)-L-alaninate is C11H12N2O5.
What is the molecular weight of methyl (4-nitrobenzoyl)-L-alaninate?
The molecular weight of methyl (4-nitrobenzoyl)-L-alaninate is 252.07 g/mol.
Where can I buy methyl (4-nitrobenzoyl)-L-alaninate?
You can request a quote for methyl (4-nitrobenzoyl)-L-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (4-nitrobenzoyl)-L-alaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4-nitrobenzoyl)-L-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.