Divinylacetylene
TL;DR: Divinylacetylene (CAS 821-08-9) is a chemical compound with molecular formula C6H6 and molecular weight 78.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexa-1,5-dien-3-yne
Also Known As: Divinylacetylene, hexa-1,5-dien-3-yne, 1,5-HEXADIEN-3-YNE, divinylacetylen, divinyl acetylene
| Molecular Formula | C6H6 |
|---|---|
| Molecular Weight | 78.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 78.04695 |
| Heavy Atoms | 6 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 821-08-9 |
|---|---|
| SMILES | C=CC#CC=C |
| InChIKey | AUBDSFLQOBEOPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Divinylacetylene (CAS 821-08-9), with molecular formula C6H6 and molecular weight 78.05 g/mol. IUPAC: hexa-1,5-dien-3-yne.
Chemical Property Profile of Divinylacetylene
Property Insights of Divinylacetylene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Divinylacetylene. With a topological polar surface area (TPSA) of 0.0 Ų, Divinylacetylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Divinylacetylene 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 Divinylacetylene?
The CAS number of Divinylacetylene is 821-08-9.
What is the molecular formula of Divinylacetylene?
The molecular formula of Divinylacetylene is C6H6.
What is the molecular weight of Divinylacetylene?
The molecular weight of Divinylacetylene is 78.05 g/mol.
Where can I buy Divinylacetylene?
You can request a quote for Divinylacetylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Divinylacetylene?
Yes, KEHONG BIO provides custom synthesis services for Divinylacetylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.