![3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid structure](/static/products/104/104398-45-0.png)
3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid
TL;DR: 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid (CAS 104398-45-0) is a chemical compound with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-[(3-nitrobenzoyl)amino]butanoic acid
Also Known As: N-(3-nitrobenzoyl)-DL-valine, BAS 03008176, 3-methyl-2-[(3-nitrobenzoyl)amino]butanoic acid, 3-Methyl-2-(3-nitro-benzoylamino)-butyric acid
| Molecular Formula | C12H14N2O5 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 1.4338 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.09027 |
| Heavy Atoms | 19 |
| Complexity | 512.5961 |
Chemical Identifiers
| CAS Number | 104398-45-0 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid (CAS 104398-45-0), with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol. IUPAC: 3-methyl-2-[(3-nitrobenzoyl)amino]butanoic acid.
Chemical Property Profile of 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid
Property Insights of 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid
The XLogP value of 1.4338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid. Following Lipinski's Rule of Five, 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid 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 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid?
The CAS number of 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid is 104398-45-0.
What is the molecular formula of 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid?
The molecular formula of 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid is C12H14N2O5.
What is the molecular weight of 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid?
The molecular weight of 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid is 266.09 g/mol.
Where can I buy 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid?
You can request a quote for 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.