2-Ethynylcycloheptan-1-ol
TL;DR: 2-Ethynylcycloheptan-1-ol (CAS 79894-69-2) is a chemical compound with molecular formula C9H14O and molecular weight 138.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethynylcycloheptan-1-ol
Also Known As: 2-ethynylcycloheptan-1-ol, 2-Ethynylcycloheptanol, Cycloheptanol,2-ethynyl-, trans-2-Ethynyl-cycloheptanol, CYCLOHEPTANOL, 2-ETHYNYL-
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 79894-69-2 |
|---|---|
| SMILES | C#CC1CCCCCC1O |
| InChIKey | XHVALGTUZARLIW-UHFFFAOYSA-N |
Product Overview
2-Ethynylcycloheptan-1-ol (CAS 79894-69-2), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: 2-ethynylcycloheptan-1-ol.
Chemical Property Profile of 2-Ethynylcycloheptan-1-ol
Property Insights of 2-Ethynylcycloheptan-1-ol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethynylcycloheptan-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Ethynylcycloheptan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethynylcycloheptan-1-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 2-Ethynylcycloheptan-1-ol?
The CAS number of 2-Ethynylcycloheptan-1-ol is 79894-69-2.
What is the molecular formula of 2-Ethynylcycloheptan-1-ol?
The molecular formula of 2-Ethynylcycloheptan-1-ol is C9H14O.
What is the molecular weight of 2-Ethynylcycloheptan-1-ol?
The molecular weight of 2-Ethynylcycloheptan-1-ol is 138.10 g/mol.
Where can I buy 2-Ethynylcycloheptan-1-ol?
You can request a quote for 2-Ethynylcycloheptan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethynylcycloheptan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethynylcycloheptan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.