1-乙炔基-1-环己醇
TL;DR: 1-乙炔基-1-环己醇 (CAS 78-27-3) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-乙炔基-1-环己醇
1-ethynylcyclohexan-1-ol
Also Known As: 1-Ethynyl-1-cyclohexanol, 1-Ethynylcyclohexanol, 1-Ethynylcyclohexan-1-ol, Ethynylcyclohexanol, (1-Hydroxycyclohexyl)ethyne
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 134.0 |
| Vapor Pressure | 0.13 [mmHg] |
Chemical Identifiers
| CAS Number | 78-27-3 |
|---|---|
| SMILES | C#CC1(CCCCC1)O |
| InChIKey | QYLFHLNFIHBCPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-乙炔基-1-环己醇 (CAS 78-27-3), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: 1-ethynylcyclohexan-1-ol.
Chemical Property Profile of 1-乙炔基-1-环己醇
Property Insights of 1-乙炔基-1-环己醇
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-乙炔基-1-环己醇. With a topological polar surface area (TPSA) of 20.2 Ų, 1-乙炔基-1-环己醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-乙炔基-1-环己醇 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-乙炔基-1-环己醇?
The CAS number of 1-乙炔基-1-环己醇 is 78-27-3.
What is the molecular formula of 1-乙炔基-1-环己醇?
The molecular formula of 1-乙炔基-1-环己醇 is C8H12O.
What is the molecular weight of 1-乙炔基-1-环己醇?
The molecular weight of 1-乙炔基-1-环己醇 is 124.09 g/mol.
Where can I buy 1-乙炔基-1-环己醇?
You can request a quote for 1-乙炔基-1-环己醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-乙炔基-1-环己醇?
Yes, KEHONG BIO provides custom synthesis services for 1-乙炔基-1-环己醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.