Hept-1-en-6-yne
TL;DR: Hept-1-en-6-yne (CAS 65939-59-5) is a chemical compound with molecular formula C7H10 and molecular weight 94.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hept-1-en-6-yne
Also Known As: hept-1-en-6-yne, 1-Hepten-6-yne, 1-Heptene-6-yne, 6-hepten-1-yne, 1-Hepten-6-yne (9CI)
| Molecular Formula | C7H10 |
|---|---|
| Molecular Weight | 94.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 94.07825 |
| Heavy Atoms | 7 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 65939-59-5 |
|---|---|
| SMILES | C=CCCCC#C |
| InChIKey | SPWJYVWGTHWHOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hept-1-en-6-yne (CAS 65939-59-5), with molecular formula C7H10 and molecular weight 94.08 g/mol. IUPAC: hept-1-en-6-yne.
Chemical Property Profile of Hept-1-en-6-yne
Property Insights of Hept-1-en-6-yne
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hept-1-en-6-yne. With a topological polar surface area (TPSA) of 0.0 Ų, Hept-1-en-6-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hept-1-en-6-yne has 0 hydrogen bond donor(s) and 0 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-1-en-6-yne?
The CAS number of Hept-1-en-6-yne is 65939-59-5.
What is the molecular formula of Hept-1-en-6-yne?
The molecular formula of Hept-1-en-6-yne is C7H10.
What is the molecular weight of Hept-1-en-6-yne?
The molecular weight of Hept-1-en-6-yne is 94.08 g/mol.
Where can I buy Hept-1-en-6-yne?
You can request a quote for Hept-1-en-6-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hept-1-en-6-yne?
Yes, KEHONG BIO provides custom synthesis services for Hept-1-en-6-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.