Oct-5-yn-3-ol
TL;DR: Oct-5-yn-3-ol (CAS 53723-18-5) 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-5-yn-3-ol
Also Known As: 5-Octyn-3-ol, oct-5-yn-3-ol, (+/-)-5-octyn-3-ol, 6-THIOPHEN-3-YL-1H-INDOLE, 843-655-5
| 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 | 2 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 53723-18-5 |
|---|---|
| SMILES | CCC#CCC(CC)O |
| InChIKey | GGXQZVKQXYOPTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oct-5-yn-3-ol (CAS 53723-18-5), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: oct-5-yn-3-ol.
Chemical Property Profile of Oct-5-yn-3-ol
Property Insights of Oct-5-yn-3-ol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oct-5-yn-3-ol. With a topological polar surface area (TPSA) of 20.2 Ų, Oct-5-yn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oct-5-yn-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 Oct-5-yn-3-ol?
The CAS number of Oct-5-yn-3-ol is 53723-18-5.
What is the molecular formula of Oct-5-yn-3-ol?
The molecular formula of Oct-5-yn-3-ol is C8H14O.
What is the molecular weight of Oct-5-yn-3-ol?
The molecular weight of Oct-5-yn-3-ol is 126.10 g/mol.
Where can I buy Oct-5-yn-3-ol?
You can request a quote for Oct-5-yn-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oct-5-yn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for Oct-5-yn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.