4-Hydroxy-4-methylhex-2-ynal
TL;DR: 4-Hydroxy-4-methylhex-2-ynal (CAS 58678-93-6) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-4-methylhex-2-ynal
Also Known As: 4-hydroxy-4-methylhex-2-ynal, 4-Hydroxy-4-methyl-hex-2-ynal, 4-Methyl-4-hydroxy-2-hexynal, 2-Hexynal, 4-hydroxy-4-methyl-, J2.667.845E
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 0.3497 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 148.03442 |
Chemical Identifiers
| CAS Number | 58678-93-6 |
|---|---|
| SMILES | CCC(C)(C#CC=O)O |
Product Overview
4-Hydroxy-4-methylhex-2-ynal (CAS 58678-93-6), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: 4-hydroxy-4-methylhex-2-ynal.
Chemical Property Profile of 4-Hydroxy-4-methylhex-2-ynal
Property Insights of 4-Hydroxy-4-methylhex-2-ynal
The XLogP value of 0.3497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-4-methylhex-2-ynal. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Hydroxy-4-methylhex-2-ynal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-4-methylhex-2-ynal 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 4-Hydroxy-4-methylhex-2-ynal?
The CAS number of 4-Hydroxy-4-methylhex-2-ynal is 58678-93-6.
What is the molecular formula of 4-Hydroxy-4-methylhex-2-ynal?
The molecular formula of 4-Hydroxy-4-methylhex-2-ynal is C7H10O2.
What is the molecular weight of 4-Hydroxy-4-methylhex-2-ynal?
The molecular weight of 4-Hydroxy-4-methylhex-2-ynal is 126.07 g/mol.
Where can I buy 4-Hydroxy-4-methylhex-2-ynal?
You can request a quote for 4-Hydroxy-4-methylhex-2-ynal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-4-methylhex-2-ynal?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-4-methylhex-2-ynal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.