3-Hexynal
TL;DR: 3-Hexynal (CAS 89533-67-5) is a chemical compound with molecular formula C6H8O and molecular weight 96.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-3-ynal
Also Known As: 3-Hexynal, Hex-3-ynal, 3-Hexyne-1-al, J1.729.214E, InChI=1/C6H8O/c1-2-3-4-5-6-7/h6H,2,5H2,1H
| Molecular Formula | C6H8O |
|---|---|
| Molecular Weight | 96.06 g/mol |
| LogP | 0.9888 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 96.05752 |
| Heavy Atoms | 7 |
| Complexity | 94.48299 |
Chemical Identifiers
| CAS Number | 89533-67-5 |
|---|---|
| SMILES | CCC#CCC=O |
Product Overview
3-Hexynal (CAS 89533-67-5), with molecular formula C6H8O and molecular weight 96.06 g/mol. IUPAC: hex-3-ynal.
Chemical Property Profile of 3-Hexynal
Property Insights of 3-Hexynal
The XLogP value of 0.9888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hexynal. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Hexynal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexynal has 0 hydrogen bond donor(s) and 1 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-Hexynal?
The CAS number of 3-Hexynal is 89533-67-5.
What is the molecular formula of 3-Hexynal?
The molecular formula of 3-Hexynal is C6H8O.
What is the molecular weight of 3-Hexynal?
The molecular weight of 3-Hexynal is 96.06 g/mol.
Where can I buy 3-Hexynal?
You can request a quote for 3-Hexynal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexynal?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexynal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.