![4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid structure](/static/products/7685/7685-67-8.webp)
4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid
TL;DR: 4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid (CAS 7685-67-8) is a chemical compound with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid
Also Known As: N-2-Nitrophenylsulfenyl-L-leucine, N-(O-Nitrophenylthio)-l-leucine, 4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid, 4-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}pentanoic acid, (2S)-4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid
| Molecular Formula | C12H16N2O4S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.08307 |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 7685-67-8 |
|---|---|
| SMILES | CC(C)CC(C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | OITRGNOZDXVYFU-UHFFFAOYSA-N |
Product Overview
4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid (CAS 7685-67-8), with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol. IUPAC: 4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid.
Chemical Property Profile of 4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid
Property Insights of 4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid. Following Lipinski's Rule of Five, 4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic 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 4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid?
The CAS number of 4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid is 7685-67-8.
What is the molecular formula of 4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid?
The molecular formula of 4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid is C12H16N2O4S.
What is the molecular weight of 4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid?
The molecular weight of 4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid is 284.08 g/mol.
Where can I buy 4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid?
You can request a quote for 4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.