4-Heptyn-3-ol
TL;DR: 4-Heptyn-3-ol (CAS 32398-69-9) 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-3-ol
Also Known As: 4-Heptyn-3-ol, hept-4-yn-3-ol, 3-heptyn-5-ol, rac-4-heptyn-3-ol, 2-Fluorophenylboronic acid
| 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 | 32398-69-9 |
|---|---|
| SMILES | CCC#CC(CC)O |
| InChIKey | FMOKAMXPKGORIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Heptyn-3-ol (CAS 32398-69-9), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: hept-4-yn-3-ol.
Chemical Property Profile of 4-Heptyn-3-ol
Property Insights of 4-Heptyn-3-ol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Heptyn-3-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Heptyn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptyn-3-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 4-Heptyn-3-ol?
The CAS number of 4-Heptyn-3-ol is 32398-69-9.
What is the molecular formula of 4-Heptyn-3-ol?
The molecular formula of 4-Heptyn-3-ol is C7H12O.
What is the molecular weight of 4-Heptyn-3-ol?
The molecular weight of 4-Heptyn-3-ol is 112.09 g/mol.
Where can I buy 4-Heptyn-3-ol?
You can request a quote for 4-Heptyn-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptyn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptyn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.