![2-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid structure](/static/products/1397/1397003-81-4.webp)
2-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid
TL;DR: 2-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid (CAS 1397003-81-4) is a chemical compound with molecular formula C12H13ClN2O5 and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-4-nitrobenzoyl)amino]-3-methylbutanoic acid
Also Known As: 2-[(2-chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid, 2-[(2-chloro-4-nitrobenzoyl)amino]-3-methylbutanoic acid, 2-[(2-chloro-4-nitrophenyl)formamido]-3-methylbutanoicacid, 2-[(2-chloro-4-nitro-benzoyl)amino]-3-methyl-butanoic Acid
| Molecular Formula | C12H13ClN2O5 |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 2.0872 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.0513 |
| Heavy Atoms | 20 |
| Complexity | 558.7787 |
Chemical Identifiers
| CAS Number | 1397003-81-4 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl |
Product Overview
2-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid (CAS 1397003-81-4), with molecular formula C12H13ClN2O5 and molecular weight 300.05 g/mol. IUPAC: 2-[(2-chloro-4-nitrobenzoyl)amino]-3-methylbutanoic acid.
Chemical Property Profile of 2-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid
Property Insights of 2-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid
The XLogP value of 2.0872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic 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 2-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid?
The CAS number of 2-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid is 1397003-81-4.
What is the molecular formula of 2-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid?
The molecular formula of 2-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid is C12H13ClN2O5.
What is the molecular weight of 2-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid?
The molecular weight of 2-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid is 300.05 g/mol.
Where can I buy 2-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid?
You can request a quote for 2-[(2-Chloro-4-nitrophenyl)formamido]-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-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Chloro-4-nitrophenyl)formamido]-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.