1-Phenyl-2-heptyn-1-ol
TL;DR: 1-Phenyl-2-heptyn-1-ol (CAS 2108-51-2) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylhept-2-yn-1-ol
Also Known As: 1-phenyl-2-heptyn-1-ol, 1-phenylhept-2-yn-1-ol, 1-Phenyl-2-heptyne-1-ol, 1-Phenyl-2-heptynyl alcohol, 1-Phenyl-hept-2-yn-1-ol
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 2.9136 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 305.0026 |
Chemical Identifiers
| CAS Number | 2108-51-2 |
|---|---|
| SMILES | CCCCC#CC(C1=CC=CC=C1)O |
Product Overview
1-Phenyl-2-heptyn-1-ol (CAS 2108-51-2), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: 1-phenylhept-2-yn-1-ol.
Chemical Property Profile of 1-Phenyl-2-heptyn-1-ol
Property Insights of 1-Phenyl-2-heptyn-1-ol
The XLogP value of 2.9136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-2-heptyn-1-ol. With a topological polar surface area (TPSA) of 20.23 Ų, 1-Phenyl-2-heptyn-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-2-heptyn-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 1-Phenyl-2-heptyn-1-ol?
The CAS number of 1-Phenyl-2-heptyn-1-ol is 2108-51-2.
What is the molecular formula of 1-Phenyl-2-heptyn-1-ol?
The molecular formula of 1-Phenyl-2-heptyn-1-ol is C13H16O.
What is the molecular weight of 1-Phenyl-2-heptyn-1-ol?
The molecular weight of 1-Phenyl-2-heptyn-1-ol is 188.12 g/mol.
Where can I buy 1-Phenyl-2-heptyn-1-ol?
You can request a quote for 1-Phenyl-2-heptyn-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-2-heptyn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-2-heptyn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.