3-Hydroxy-2-methylpentanal
TL;DR: 3-Hydroxy-2-methylpentanal (CAS 66-64-8) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-methylpentanal
Also Known As: 3-Hydroxy-2-methylpentanal, Pentanal, 3-hydroxy-2-methyl-, 3-hydroxy-2-methyl-pentanal, Pentanal,3-hydroxy-2-methyl-, 2-Methyl-3-hydroxypentanal
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 66-64-8 |
|---|---|
| SMILES | CCC(C(C)C=O)O |
| InChIKey | YWUGUGHGGWKGEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-2-methylpentanal (CAS 66-64-8), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: 3-hydroxy-2-methylpentanal.
Chemical Property Profile of 3-Hydroxy-2-methylpentanal
Property Insights of 3-Hydroxy-2-methylpentanal
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2-methylpentanal. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxy-2-methylpentanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-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-Hydroxy-2-methylpentanal?
The CAS number of 3-Hydroxy-2-methylpentanal is 66-64-8.
What is the molecular formula of 3-Hydroxy-2-methylpentanal?
The molecular formula of 3-Hydroxy-2-methylpentanal is C6H12O2.
What is the molecular weight of 3-Hydroxy-2-methylpentanal?
The molecular weight of 3-Hydroxy-2-methylpentanal is 116.08 g/mol.
Where can I buy 3-Hydroxy-2-methylpentanal?
You can request a quote for 3-Hydroxy-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-Hydroxy-2-methylpentanal?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-methylpentanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.