![(2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid structure](/static/products/956/956411-49-7.png)
(2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid
TL;DR: (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid (CAS 956411-49-7) 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.
(2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid
Also Known As: (2S)-2-[(4-CHLORO-3-NITROPHENYL)FORMAMIDO]-3-METHYLBUTANOIC ACID, (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid, 2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butanoic Acid, (2S)-2-(4-chloro-3-nitrophenyl)formamido-3-methylbutanoic acid, (2S)-2-[(4-CHLORO-3-NITROPHENYL)FORMAMIDO]-3-METHYLBUTANOICACID
| 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 | 956411-49-7 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
Product Overview
(2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid (CAS 956411-49-7), with molecular formula C12H13ClN2O5 and molecular weight 300.05 g/mol. IUPAC: (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid.
Chemical Property Profile of (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid
Property Insights of (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid
The XLogP value of 2.0872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid. Following Lipinski's Rule of Five, (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-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 (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid?
The CAS number of (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid is 956411-49-7.
What is the molecular formula of (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid?
The molecular formula of (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid is C12H13ClN2O5.
What is the molecular weight of (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid?
The molecular weight of (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid is 300.05 g/mol.
Where can I buy (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid?
You can request a quote for (2S)-2-[(4-chloro-3-nitrobenzoyl)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 (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.