Hexachloro-1,5-hexadien-3-yne
TL;DR: Hexachloro-1,5-hexadien-3-yne (CAS 816-36-4) is a chemical compound with molecular formula C6Cl6 and molecular weight 281.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,5,6,6-hexachlorohexa-1,5-dien-3-yne
Also Known As: perchloro-1,5-hexadien-3-yne, perchloro-1,5-hexadiene-3-yne, HEXACHLORO-1,5-HEXADIEN-3-YNE, 1,1,2,5,6,6-hexachlorohexa-1,5-dien-3-yne, 1,1,2,5,6,6-hexachloro-1,5-hexadien-3-yne
| Molecular Formula | C6Cl6 |
|---|---|
| Molecular Weight | 281.81 g/mol |
| LogP | 4.7608 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.8131 |
| Heavy Atoms | 12 |
| Complexity | 252.89551 |
Chemical Identifiers
| CAS Number | 816-36-4 |
|---|---|
| SMILES | C(#CC(=C(Cl)Cl)Cl)C(=C(Cl)Cl)Cl |
Product Overview
Hexachloro-1,5-hexadien-3-yne (CAS 816-36-4), with molecular formula C6Cl6 and molecular weight 281.81 g/mol. IUPAC: 1,1,2,5,6,6-hexachlorohexa-1,5-dien-3-yne.
Chemical Property Profile of Hexachloro-1,5-hexadien-3-yne
Property Insights of Hexachloro-1,5-hexadien-3-yne
The XLogP value of 4.7608 indicates that Hexachloro-1,5-hexadien-3-yne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hexachloro-1,5-hexadien-3-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexachloro-1,5-hexadien-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 Hexachloro-1,5-hexadien-3-yne?
The CAS number of Hexachloro-1,5-hexadien-3-yne is 816-36-4.
What is the molecular formula of Hexachloro-1,5-hexadien-3-yne?
The molecular formula of Hexachloro-1,5-hexadien-3-yne is C6Cl6.
What is the molecular weight of Hexachloro-1,5-hexadien-3-yne?
The molecular weight of Hexachloro-1,5-hexadien-3-yne is 281.81 g/mol.
Where can I buy Hexachloro-1,5-hexadien-3-yne?
You can request a quote for Hexachloro-1,5-hexadien-3-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexachloro-1,5-hexadien-3-yne?
Yes, KEHONG BIO provides custom synthesis services for Hexachloro-1,5-hexadien-3-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.