(3-Nitrobenzoyl)alanine
TL;DR: (3-Nitrobenzoyl)alanine (CAS 153212-71-6) is a chemical compound with molecular formula C10H10N2O5 and molecular weight 238.05898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-(3-nitrophenyl)-4-oxobutanoic acid
Also Known As: (m-Nitrobenzoyl)alanine, (3-Nitrobenzoyl)alanine, m-nitrobenzoylalanine, meta-nitrobenzoyl)alanine, 2-amino-4-(3-nitrophenyl)-4-oxobutanoic acid
Technical Specifications
| Molecular Formula | C10H10N2O5 |
| Molecular Weight | 238.05898 g/mol |
| XLogP | -2.2 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.05898 Da |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC(C(=O)O)N |
| InChIKey | KBJZPNMDKSNLIZ-UHFFFAOYSA-N |
Chemical Property Profile of (3-Nitrobenzoyl)alanine
Property Insights of (3-Nitrobenzoyl)alanine
The XLogP value of -2.2 indicates that (3-Nitrobenzoyl)alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Nitrobenzoyl)alanine. Following Lipinski's Rule of Five, (3-Nitrobenzoyl)alanine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3-Nitrobenzoyl)alanine?
The CAS number of (3-Nitrobenzoyl)alanine is 153212-71-6.
What is the molecular formula of (3-Nitrobenzoyl)alanine?
The molecular formula of (3-Nitrobenzoyl)alanine is C10H10N2O5.
What is the molecular weight of (3-Nitrobenzoyl)alanine?
The molecular weight of (3-Nitrobenzoyl)alanine is 238.05898 g/mol.
Where can I buy (3-Nitrobenzoyl)alanine?
You can request a quote for (3-Nitrobenzoyl)alanine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Nitrobenzoyl)alanine?
Yes, CoreyChem provides custom synthesis services for (3-Nitrobenzoyl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.