3-Mercapto-2-methylpentanal
TL;DR: 3-Mercapto-2-methylpentanal (CAS 227456-28-2) is a chemical compound with molecular formula C6H12OS and molecular weight 132.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-sulfanylpentanal
Also Known As: 3-Mercapto-2-methylpentanal, 2-methyl-3-sulfanylpentanal, Pentanal, 3-mercapto-2-methyl-, FEMA no. 3994, 2-methyl-3-sulfanyl-pentanal
| Molecular Formula | C6H12OS |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.06088 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 227456-28-2 |
|---|---|
| SMILES | CCC(C(C)C=O)S |
| InChIKey | FSAGSGCELJTQFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Mercapto-2-methylpentanal (CAS 227456-28-2), with molecular formula C6H12OS and molecular weight 132.06 g/mol. IUPAC: 2-methyl-3-sulfanylpentanal.
Chemical Property Profile of 3-Mercapto-2-methylpentanal
Property Insights of 3-Mercapto-2-methylpentanal
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Mercapto-2-methylpentanal. With a topological polar surface area (TPSA) of 18.1 Ų, 3-Mercapto-2-methylpentanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercapto-2-methylpentanal has 1 hydrogen bond donor(s) and 2 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 3-Mercapto-2-methylpentanal?
The CAS number of 3-Mercapto-2-methylpentanal is 227456-28-2.
What is the molecular formula of 3-Mercapto-2-methylpentanal?
The molecular formula of 3-Mercapto-2-methylpentanal is C6H12OS.
What is the molecular weight of 3-Mercapto-2-methylpentanal?
The molecular weight of 3-Mercapto-2-methylpentanal is 132.06 g/mol.
Where can I buy 3-Mercapto-2-methylpentanal?
You can request a quote for 3-Mercapto-2-methylpentanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Mercapto-2-methylpentanal?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercapto-2-methylpentanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.