![2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid structure](/static/products/1009/1009266-08-3.webp)
2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid
TL;DR: 2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid (CAS 1009266-08-3) is a chemical compound with molecular formula C12H13ClN2O5S and molecular weight 332.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chloro-3-nitrobenzoyl)amino]-4-methylsulfanylbutanoic acid
Also Known As: 2-[(4-chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid, 2-(4-Chloro-3-nitro-benzoylamino)-4-methylsulfanyl-butyric acid, 2-[(4-chloro-3-nitrobenzoyl)amino]-4-methylsulfanylbutanoic acid, 2-[(4-chloro-3-nitro-benzoyl)amino]-4-methylsulfanyl-butanoic Acid, 2-[(4-chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoicacid
| Molecular Formula | C12H13ClN2O5S |
|---|---|
| Molecular Weight | 332.02 g/mol |
| LogP | 2.1843 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.02338 |
| Heavy Atoms | 21 |
| Complexity | 566.5788 |
Chemical Identifiers
| CAS Number | 1009266-08-3 |
|---|---|
| SMILES | CSCCC(C(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
Product Overview
2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid (CAS 1009266-08-3), with molecular formula C12H13ClN2O5S and molecular weight 332.02 g/mol. IUPAC: 2-[(4-chloro-3-nitrobenzoyl)amino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of 2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid
Property Insights of 2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid
The XLogP value of 2.1843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid. Following Lipinski's Rule of Five, 2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid has 2 hydrogen bond donor(s) and 5 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-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid?
The CAS number of 2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid is 1009266-08-3.
What is the molecular formula of 2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid?
The molecular formula of 2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid is C12H13ClN2O5S.
What is the molecular weight of 2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid?
The molecular weight of 2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid is 332.02 g/mol.
Where can I buy 2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid?
You can request a quote for 2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chloro-3-nitrophenyl)formamido]-4-(methylsulfanyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.