![4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid structure](/static/products/6508/65084-34-6.webp)
4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid
TL;DR: 4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid (CAS 65084-34-6) is a chemical compound with molecular formula C12H14N2O5S and molecular weight 298.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoic acid
Also Known As: 4-(methylthio)-2-[(3-nitrobenzoyl)amino]butanoic acid, N-(3-Nitrobenzoyl)methionine, Methionine,N-(3-nitrobenzoyl), Methionine,N-(3-nitrobenzoyl)-, 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoic Acid
| Molecular Formula | C12H14N2O5S |
|---|---|
| Molecular Weight | 298.06 g/mol |
| LogP | 1.5309 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.06235 |
| Heavy Atoms | 20 |
| Complexity | 520.3241 |
Chemical Identifiers
| CAS Number | 65084-34-6 |
|---|---|
| SMILES | CSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid (CAS 65084-34-6), with molecular formula C12H14N2O5S and molecular weight 298.06 g/mol. IUPAC: 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoic acid.
Chemical Property Profile of 4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid
Property Insights of 4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid
The XLogP value of 1.5309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid. Following Lipinski's Rule of Five, 4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]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 4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid?
The CAS number of 4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid is 65084-34-6.
What is the molecular formula of 4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid?
The molecular formula of 4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid is C12H14N2O5S.
What is the molecular weight of 4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid?
The molecular weight of 4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid is 298.06 g/mol.
Where can I buy 4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid?
You can request a quote for 4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylsulfanyl)-2-[(3-nitrophenyl)formamido]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.