N-(3-nitrobenzoyl)-D-alanine
TL;DR: N-(3-nitrobenzoyl)-D-alanine (CAS 117958-16-4) 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.
(2R)-2-[(3-nitrobenzoyl)amino]propanoic acid
Also Known As: N-(3-nitrobenzoyl)-D-alanine, 2-[(3-nitrobenzoyl)amino]propanoic Acid, (R)-N-(3-Nitrobenzoyl)-2-methylglycine, J2.259.148G, (2R)-2-[(3-nitrobenzoyl)amino]propanoic acid
| Molecular Formula | C10H10N2O5 |
|---|---|
| Molecular Weight | 238.06 g/mol |
| LogP | 0.7977 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.05898 |
| Heavy Atoms | 17 |
| Complexity | 471.51898 |
Chemical Identifiers
| CAS Number | 117958-16-4 |
|---|---|
| SMILES | C[C@H](C(=O)O)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
N-(3-nitrobenzoyl)-D-alanine (CAS 117958-16-4), with molecular formula C10H10N2O5 and molecular weight 238.06 g/mol. IUPAC: (2R)-2-[(3-nitrobenzoyl)amino]propanoic acid.
Chemical Property Profile of N-(3-nitrobenzoyl)-D-alanine
Property Insights of N-(3-nitrobenzoyl)-D-alanine
The XLogP value of 0.7977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-nitrobenzoyl)-D-alanine. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-nitrobenzoyl)-D-alanine. Following Lipinski's Rule of Five, N-(3-nitrobenzoyl)-D-alanine has 2 hydrogen bond donor(s) and 4 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 N-(3-nitrobenzoyl)-D-alanine?
The CAS number of N-(3-nitrobenzoyl)-D-alanine is 117958-16-4.
What is the molecular formula of N-(3-nitrobenzoyl)-D-alanine?
The molecular formula of N-(3-nitrobenzoyl)-D-alanine is C10H10N2O5.
What is the molecular weight of N-(3-nitrobenzoyl)-D-alanine?
The molecular weight of N-(3-nitrobenzoyl)-D-alanine is 238.06 g/mol.
Where can I buy N-(3-nitrobenzoyl)-D-alanine?
You can request a quote for N-(3-nitrobenzoyl)-D-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-nitrobenzoyl)-D-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-nitrobenzoyl)-D-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.