4-Nitrobenzoylalanine
TL;DR: 4-Nitrobenzoylalanine (CAS 51769-52-9) is a chemical compound with molecular formula C10H10N2O5 and molecular weight 238.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(4-nitrobenzoyl)amino]propanoic acid
Also Known As: 4-nitrobenzoylalanine, p-nitrobenzoyl-l-alanine, (4-Nitrobenzoyl)-L-alanine, N-(4-Nitrobenzoyl)-L-alanine, (S)-2-(4-Nitrobenzoylamino)propanoate
| Molecular Formula | C10H10N2O5 |
|---|---|
| Molecular Weight | 238.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.05898 |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 51769-52-9 |
|---|---|
| SMILES | C[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | CBMCTOCBSFJMEG-LURJTMIESA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrobenzoylalanine (CAS 51769-52-9), with molecular formula C10H10N2O5 and molecular weight 238.06 g/mol. IUPAC: (2S)-2-[(4-nitrobenzoyl)amino]propanoic acid.
Chemical Property Profile of 4-Nitrobenzoylalanine
Property Insights of 4-Nitrobenzoylalanine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzoylalanine. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzoylalanine. Following Lipinski's Rule of Five, 4-Nitrobenzoylalanine has 2 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-Nitrobenzoylalanine?
The CAS number of 4-Nitrobenzoylalanine is 51769-52-9.
What is the molecular formula of 4-Nitrobenzoylalanine?
The molecular formula of 4-Nitrobenzoylalanine is C10H10N2O5.
What is the molecular weight of 4-Nitrobenzoylalanine?
The molecular weight of 4-Nitrobenzoylalanine is 238.06 g/mol.
Where can I buy 4-Nitrobenzoylalanine?
You can request a quote for 4-Nitrobenzoylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzoylalanine?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzoylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.