Hepta-1,6-dien-4-ol
TL;DR: Hepta-1,6-dien-4-ol (CAS 2883-45-6) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hepta-1,6-dien-4-ol
Also Known As: Hepta-1,6-dien-4-ol, 1,6-HEPTADIEN-4-OL, 1,6-Heptadiene-4-ol, diallylcarbinol, diallyl carbinol
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 2883-45-6 |
|---|---|
| SMILES | C=CCC(CC=C)O |
| InChIKey | UTGFOWQYZKTZTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hepta-1,6-dien-4-ol (CAS 2883-45-6), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: hepta-1,6-dien-4-ol.
Chemical Property Profile of Hepta-1,6-dien-4-ol
Property Insights of Hepta-1,6-dien-4-ol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hepta-1,6-dien-4-ol. With a topological polar surface area (TPSA) of 20.2 Ų, Hepta-1,6-dien-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hepta-1,6-dien-4-ol has 1 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 Hepta-1,6-dien-4-ol?
The CAS number of Hepta-1,6-dien-4-ol is 2883-45-6.
What is the molecular formula of Hepta-1,6-dien-4-ol?
The molecular formula of Hepta-1,6-dien-4-ol is C7H12O.
What is the molecular weight of Hepta-1,6-dien-4-ol?
The molecular weight of Hepta-1,6-dien-4-ol is 112.09 g/mol.
Where can I buy Hepta-1,6-dien-4-ol?
You can request a quote for Hepta-1,6-dien-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hepta-1,6-dien-4-ol?
Yes, KEHONG BIO provides custom synthesis services for Hepta-1,6-dien-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.