Hept-4-yn-2-ol
TL;DR: Hept-4-yn-2-ol (CAS 19781-81-8) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hept-4-yn-2-ol
Also Known As: 4-Heptyn-2-ol, Hept-4-yn-2-ol, Hept4yn2ol, Methyl 2-pentynyl carbinol, 4-Heptyn-2-ol, 97%
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 19781-81-8 |
|---|---|
| SMILES | CCC#CCC(C)O |
| InChIKey | CXVIEBMEWKSONY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hept-4-yn-2-ol (CAS 19781-81-8), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: hept-4-yn-2-ol.
Chemical Property Profile of Hept-4-yn-2-ol
Property Insights of Hept-4-yn-2-ol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hept-4-yn-2-ol. With a topological polar surface area (TPSA) of 20.2 Ų, Hept-4-yn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hept-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 Hept-4-yn-2-ol?
The CAS number of Hept-4-yn-2-ol is 19781-81-8.
What is the molecular formula of Hept-4-yn-2-ol?
The molecular formula of Hept-4-yn-2-ol is C7H12O.
What is the molecular weight of Hept-4-yn-2-ol?
The molecular weight of Hept-4-yn-2-ol is 112.09 g/mol.
Where can I buy Hept-4-yn-2-ol?
You can request a quote for Hept-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 Hept-4-yn-2-ol?
Yes, KEHONG BIO provides custom synthesis services for Hept-4-yn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.