Hepta-1,5-dien-3-yne
TL;DR: Hepta-1,5-dien-3-yne (CAS 3511-27-1) is a chemical compound with molecular formula C7H8 and molecular weight 92.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hepta-1,5-dien-3-yne
Also Known As: methyldivinylacetylene, 1,5-Heptadien-3-yne, HEPTA-1,5-DIEN-3-YNE, RefChem:1086406
| Molecular Formula | C7H8 |
|---|---|
| Molecular Weight | 92.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 92.0626 |
| Heavy Atoms | 7 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 3511-27-1 |
|---|---|
| SMILES | CC=CC#CC=C |
| InChIKey | AIKGMUZHUHXBCF-UHFFFAOYSA-N |
Product Overview
Hepta-1,5-dien-3-yne (CAS 3511-27-1), with molecular formula C7H8 and molecular weight 92.06 g/mol. IUPAC: hepta-1,5-dien-3-yne.
Chemical Property Profile of Hepta-1,5-dien-3-yne
Property Insights of Hepta-1,5-dien-3-yne
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hepta-1,5-dien-3-yne. With a topological polar surface area (TPSA) of 0.0 Ų, Hepta-1,5-dien-3-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hepta-1,5-dien-3-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 Hepta-1,5-dien-3-yne?
The CAS number of Hepta-1,5-dien-3-yne is 3511-27-1.
What is the molecular formula of Hepta-1,5-dien-3-yne?
The molecular formula of Hepta-1,5-dien-3-yne is C7H8.
What is the molecular weight of Hepta-1,5-dien-3-yne?
The molecular weight of Hepta-1,5-dien-3-yne is 92.06 g/mol.
Where can I buy Hepta-1,5-dien-3-yne?
You can request a quote for Hepta-1,5-dien-3-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hepta-1,5-dien-3-yne?
Yes, KEHONG BIO provides custom synthesis services for Hepta-1,5-dien-3-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.