7-Octyn-1-ol, 1-acetate
TL;DR: 7-Octyn-1-ol, 1-acetate (CAS 13860-68-9) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oct-7-ynyl acetate
Also Known As: oct-7-ynyl acetate, 7-Octyn-1-ol, 1-acetate, oct-7-yn-1-yl acetate, 7-Octyn-1-ol, acetate, 7-octyn-1-yl acetate
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 13860-68-9 |
|---|---|
| SMILES | CC(=O)OCCCCCCC#C |
| InChIKey | PCEZZOCIWUWDLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Octyn-1-ol, 1-acetate (CAS 13860-68-9), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: oct-7-ynyl acetate.
Chemical Property Profile of 7-Octyn-1-ol, 1-acetate
Property Insights of 7-Octyn-1-ol, 1-acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Octyn-1-ol, 1-acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 7-Octyn-1-ol, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Octyn-1-ol, 1-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 7-Octyn-1-ol, 1-acetate?
The CAS number of 7-Octyn-1-ol, 1-acetate is 13860-68-9.
What is the molecular formula of 7-Octyn-1-ol, 1-acetate?
The molecular formula of 7-Octyn-1-ol, 1-acetate is C10H16O2.
What is the molecular weight of 7-Octyn-1-ol, 1-acetate?
The molecular weight of 7-Octyn-1-ol, 1-acetate is 168.12 g/mol.
Where can I buy 7-Octyn-1-ol, 1-acetate?
You can request a quote for 7-Octyn-1-ol, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Octyn-1-ol, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for 7-Octyn-1-ol, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.