Hexen-2-al
TL;DR: Hexen-2-al (CAS 763-93-9) is a chemical compound with molecular formula C6H10O and molecular weight 98.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-3-en-2-one
Also Known As: Hexenone, hex-3-en-2-one, 3-HEXEN-2-ONE, hexen-2-al, hexen-2-a1
| Molecular Formula | C6H10O |
|---|---|
| Molecular Weight | 98.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 98.073166 |
| Heavy Atoms | 7 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 763-93-9 |
|---|---|
| SMILES | CCC=CC(=O)C |
| InChIKey | LPCWMYHBLXLJJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexen-2-al (CAS 763-93-9), with molecular formula C6H10O and molecular weight 98.07 g/mol. IUPAC: hex-3-en-2-one.
Chemical Property Profile of Hexen-2-al
Property Insights of Hexen-2-al
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexen-2-al. With a topological polar surface area (TPSA) of 17.1 Ų, Hexen-2-al exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexen-2-al 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 Hexen-2-al?
The CAS number of Hexen-2-al is 763-93-9.
What is the molecular formula of Hexen-2-al?
The molecular formula of Hexen-2-al is C6H10O.
What is the molecular weight of Hexen-2-al?
The molecular weight of Hexen-2-al is 98.07 g/mol.
Where can I buy Hexen-2-al?
You can request a quote for Hexen-2-al directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexen-2-al?
Yes, KEHONG BIO provides custom synthesis services for Hexen-2-al and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.