3-Hepten-1-yne
TL;DR: 3-Hepten-1-yne (CAS 2806-40-8) 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-3-en-1-yne
Also Known As: 3-Hepten-1-yne, HEPT-3-EN-1-YNE
| Molecular Formula | C7H10 |
|---|---|
| Molecular Weight | 94.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 94.07825 |
| Heavy Atoms | 7 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 2806-40-8 |
|---|---|
| SMILES | CCCC=CC#C |
| InChIKey | LXPWTZWMHUCANN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hepten-1-yne (CAS 2806-40-8), with molecular formula C7H10 and molecular weight 94.08 g/mol. IUPAC: hept-3-en-1-yne.
Chemical Property Profile of 3-Hepten-1-yne
Property Insights of 3-Hepten-1-yne
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hepten-1-yne. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Hepten-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hepten-1-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 3-Hepten-1-yne?
The CAS number of 3-Hepten-1-yne is 2806-40-8.
What is the molecular formula of 3-Hepten-1-yne?
The molecular formula of 3-Hepten-1-yne is C7H10.
What is the molecular weight of 3-Hepten-1-yne?
The molecular weight of 3-Hepten-1-yne is 94.08 g/mol.
Where can I buy 3-Hepten-1-yne?
You can request a quote for 3-Hepten-1-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hepten-1-yne?
Yes, KEHONG BIO provides custom synthesis services for 3-Hepten-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.