4-Hexenyl butyrate
TL;DR: 4-Hexenyl butyrate (CAS 809271-90-7) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-4-enyl butanoate
Also Known As: 4-hexenyl butyrate, Butanoic acid, (4E)-4-hexenyl ester, Butanoic acid, (4Z)-4-hexenyl ester
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 809271-90-7 |
|---|---|
| SMILES | CCCC(=O)OCCCC=CC |
| InChIKey | IKWWFLZYECOJNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hexenyl butyrate (CAS 809271-90-7), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: hex-4-enyl butanoate.
Chemical Property Profile of 4-Hexenyl butyrate
Property Insights of 4-Hexenyl butyrate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hexenyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Hexenyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexenyl butyrate has 0 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-Hexenyl butyrate?
The CAS number of 4-Hexenyl butyrate is 809271-90-7.
What is the molecular formula of 4-Hexenyl butyrate?
The molecular formula of 4-Hexenyl butyrate is C10H18O2.
What is the molecular weight of 4-Hexenyl butyrate?
The molecular weight of 4-Hexenyl butyrate is 170.13 g/mol.
Where can I buy 4-Hexenyl butyrate?
You can request a quote for 4-Hexenyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexenyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexenyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.