Oct-4-yn-2-ol
TL;DR: Oct-4-yn-2-ol (CAS 57355-72-3) 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-4-yn-2-ol
Also Known As: 4-Octyn-2-ol, oct-4-yn-2-ol, 4-Octyne-2-ol, TIMTEC-BB SBB009108, J2.726.749A
| 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 | 57355-72-3 |
|---|---|
| SMILES | CCCC#CCC(C)O |
| InChIKey | BKGZMBTUPJVTIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oct-4-yn-2-ol (CAS 57355-72-3), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: oct-4-yn-2-ol.
Chemical Property Profile of Oct-4-yn-2-ol
Property Insights of Oct-4-yn-2-ol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oct-4-yn-2-ol. With a topological polar surface area (TPSA) of 20.2 Ų, Oct-4-yn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oct-4-yn-2-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-4-yn-2-ol?
The CAS number of Oct-4-yn-2-ol is 57355-72-3.
What is the molecular formula of Oct-4-yn-2-ol?
The molecular formula of Oct-4-yn-2-ol is C8H14O.
What is the molecular weight of Oct-4-yn-2-ol?
The molecular weight of Oct-4-yn-2-ol is 126.10 g/mol.
Where can I buy Oct-4-yn-2-ol?
You can request a quote for Oct-4-yn-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oct-4-yn-2-ol?
Yes, KEHONG BIO provides custom synthesis services for Oct-4-yn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.