2-Acetamido-3-methyl-3-sulfanylpentanoic acid
TL;DR: 2-Acetamido-3-methyl-3-sulfanylpentanoic acid (CAS 82162-83-2) is a chemical compound with molecular formula C8H15NO3S and molecular weight 205.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-methyl-3-sulfanylpentanoic acid
Also Known As: Isoleucine,N-acetyl-3-mercapto-, DL-N-acetyl-beta-mercaptoisoleucine, 2-acetamido-3-methyl-3-sulfanylpentanoic acid, 2-(acetylamino)-3-methyl-3-sulfanylpentanoic acid(non-preferred name), 2-(acetylamino)-2,4,5-trideoxy-3-C-methyl-3-thiopentonic acid
| Molecular Formula | C8H15NO3S |
|---|---|
| Molecular Weight | 205.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.07727 |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 82162-83-2 |
|---|---|
| SMILES | CCC(C)(C(C(=O)O)NC(=O)C)S |
| InChIKey | CQDYZFQNPRLEAK-UHFFFAOYSA-N |
Product Overview
2-Acetamido-3-methyl-3-sulfanylpentanoic acid (CAS 82162-83-2), with molecular formula C8H15NO3S and molecular weight 205.08 g/mol. IUPAC: 2-acetamido-3-methyl-3-sulfanylpentanoic acid.
Chemical Property Profile of 2-Acetamido-3-methyl-3-sulfanylpentanoic acid
Property Insights of 2-Acetamido-3-methyl-3-sulfanylpentanoic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetamido-3-methyl-3-sulfanylpentanoic acid. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetamido-3-methyl-3-sulfanylpentanoic acid. Following Lipinski's Rule of Five, 2-Acetamido-3-methyl-3-sulfanylpentanoic acid has 3 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-Acetamido-3-methyl-3-sulfanylpentanoic acid?
The CAS number of 2-Acetamido-3-methyl-3-sulfanylpentanoic acid is 82162-83-2.
What is the molecular formula of 2-Acetamido-3-methyl-3-sulfanylpentanoic acid?
The molecular formula of 2-Acetamido-3-methyl-3-sulfanylpentanoic acid is C8H15NO3S.
What is the molecular weight of 2-Acetamido-3-methyl-3-sulfanylpentanoic acid?
The molecular weight of 2-Acetamido-3-methyl-3-sulfanylpentanoic acid is 205.08 g/mol.
Where can I buy 2-Acetamido-3-methyl-3-sulfanylpentanoic acid?
You can request a quote for 2-Acetamido-3-methyl-3-sulfanylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetamido-3-methyl-3-sulfanylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetamido-3-methyl-3-sulfanylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.