1-Octyn-3-ol
TL;DR: 1-Octyn-3-ol (CAS 818-72-4) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oct-1-yn-3-ol
Also Known As: 1-OCTYN-3-OL, oct-1-yn-3-ol, 1-Octyne-3-ol, Oct-1-yne-3-ol, 3-Fluoropropene
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 818-72-4 |
|---|---|
| SMILES | CCCCCC(C#C)O |
| InChIKey | VUGRNZHKYVHZSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Octyn-3-ol (CAS 818-72-4), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: oct-1-yn-3-ol.
Chemical Property Profile of 1-Octyn-3-ol
Property Insights of 1-Octyn-3-ol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Octyn-3-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Octyn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octyn-3-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 1-Octyn-3-ol?
The CAS number of 1-Octyn-3-ol is 818-72-4.
What is the molecular formula of 1-Octyn-3-ol?
The molecular formula of 1-Octyn-3-ol is C8H14O.
What is the molecular weight of 1-Octyn-3-ol?
The molecular weight of 1-Octyn-3-ol is 126.10 g/mol.
Where can I buy 1-Octyn-3-ol?
You can request a quote for 1-Octyn-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octyn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Octyn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.