![2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid structure](/static/products/982/98243-65-3.png)
2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid
TL;DR: 2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid (CAS 98243-65-3) is a chemical compound with molecular formula C12H13N3O7 and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dinitrobenzoyl)amino]-3-methylbutanoic acid
Also Known As: D-Valine, N-(3,5-dinitrobenzoyl)-, 2-[(3,5-dinitrobenzoyl)amino]-3-methylbutanoic acid, 2-[(3,5-dinitrobenzoyl)amino]-3-methyl-butanoic Acid, 2-[(3,5-DINITROPHENYL)FORMAMIDO]-3-METHYLBUTANOIC ACID
| Molecular Formula | C12H13N3O7 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 1.342 |
| Topological Polar Surface Area | 152.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.07535 |
| Heavy Atoms | 22 |
| Complexity | 609.3571 |
Chemical Identifiers
| CAS Number | 98243-65-3 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid (CAS 98243-65-3), with molecular formula C12H13N3O7 and molecular weight 311.08 g/mol. IUPAC: 2-[(3,5-dinitrobenzoyl)amino]-3-methylbutanoic acid.
Chemical Property Profile of 2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid
Property Insights of 2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid
The XLogP value of 1.342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid. The TPSA of 152.68 Ų indicates high polarity, suggesting 2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid 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
Frequently Asked Questions
What is the CAS number of 2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid?
The CAS number of 2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid is 98243-65-3.
What is the molecular formula of 2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid?
The molecular formula of 2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid is C12H13N3O7.
What is the molecular weight of 2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid?
The molecular weight of 2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid is 311.08 g/mol.
Where can I buy 2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid?
You can request a quote for 2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,5-Dinitrobenzoyl)amino]-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.