Hept-3-en-1-yl acetate
TL;DR: Hept-3-en-1-yl acetate (CAS 1576-77-8) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hept-3-enyl acetate
Also Known As: cis-3-Heptenyl acetate, trans-3-Heptenyl acetate, Hept-3-en-1-yl acetate, (E)-Hept-3-enyl acetate, 3-Heptenyl acetate, (E)-
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 1576-77-8 |
|---|---|
| SMILES | CCCC=CCCOC(=O)C |
| InChIKey | AAYIYWGTGAUKQY-UHFFFAOYSA-N |
Product Overview
Hept-3-en-1-yl acetate (CAS 1576-77-8), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: hept-3-enyl acetate.
Chemical Property Profile of Hept-3-en-1-yl acetate
Property Insights of Hept-3-en-1-yl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hept-3-en-1-yl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Hept-3-en-1-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hept-3-en-1-yl acetate 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 Hept-3-en-1-yl acetate?
The CAS number of Hept-3-en-1-yl acetate is 1576-77-8.
What is the molecular formula of Hept-3-en-1-yl acetate?
The molecular formula of Hept-3-en-1-yl acetate is C9H16O2.
What is the molecular weight of Hept-3-en-1-yl acetate?
The molecular weight of Hept-3-en-1-yl acetate is 156.12 g/mol.
Where can I buy Hept-3-en-1-yl acetate?
You can request a quote for Hept-3-en-1-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hept-3-en-1-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for Hept-3-en-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.