4-Mercapto-4-methylpentyl-2-acetate
TL;DR: 4-Mercapto-4-methylpentyl-2-acetate (CAS 50746-11-7) is a chemical compound with molecular formula C8H16O2S and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-4-sulfanylpentan-2-yl) acetate
Also Known As: 4-mercapto-4-methylpentyl-2-acetate, 4-mercapto-4-methylpent-2-yl acetate, (4-methyl-4-sulfanylpentan-2-yl) acetate
| Molecular Formula | C8H16O2S |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 2.0365 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.0871 |
| Heavy Atoms | 11 |
| Complexity | 137.51772 |
Chemical Identifiers
| CAS Number | 50746-11-7 |
|---|---|
| SMILES | CC(CC(C)(C)S)OC(=O)C |
Product Overview
4-Mercapto-4-methylpentyl-2-acetate (CAS 50746-11-7), with molecular formula C8H16O2S and molecular weight 176.09 g/mol. IUPAC: (4-methyl-4-sulfanylpentan-2-yl) acetate.
Chemical Property Profile of 4-Mercapto-4-methylpentyl-2-acetate
Property Insights of 4-Mercapto-4-methylpentyl-2-acetate
The XLogP value of 2.0365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Mercapto-4-methylpentyl-2-acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Mercapto-4-methylpentyl-2-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Mercapto-4-methylpentyl-2-acetate has 1 hydrogen bond donor(s) and 3 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-Mercapto-4-methylpentyl-2-acetate?
The CAS number of 4-Mercapto-4-methylpentyl-2-acetate is 50746-11-7.
What is the molecular formula of 4-Mercapto-4-methylpentyl-2-acetate?
The molecular formula of 4-Mercapto-4-methylpentyl-2-acetate is C8H16O2S.
What is the molecular weight of 4-Mercapto-4-methylpentyl-2-acetate?
The molecular weight of 4-Mercapto-4-methylpentyl-2-acetate is 176.09 g/mol.
Where can I buy 4-Mercapto-4-methylpentyl-2-acetate?
You can request a quote for 4-Mercapto-4-methylpentyl-2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Mercapto-4-methylpentyl-2-acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Mercapto-4-methylpentyl-2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.