1-Hexachlorobutyne
TL;DR: 1-Hexachlorobutyne (CAS 83682-47-7) is a chemical compound with molecular formula C4Cl6 and molecular weight 257.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3,4,4,4-hexachlorobut-1-yne
Also Known As: 1-HEXACHLOROBUTYNE, hexachlorobut-1-yne, 1,3,3,4,4,4-hexachlorobut-1-yne, 1,3,3,4,4,4-Hexachloro-1-butyne, J1.596.132E
| Molecular Formula | C4Cl6 |
|---|---|
| Molecular Weight | 257.81 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 259.81018 |
| Heavy Atoms | 10 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 83682-47-7 |
|---|---|
| SMILES | C(#CCl)C(C(Cl)(Cl)Cl)(Cl)Cl |
| InChIKey | NIEGKJGSIIRZGH-UHFFFAOYSA-N |
Product Overview
1-Hexachlorobutyne (CAS 83682-47-7), with molecular formula C4Cl6 and molecular weight 257.81 g/mol. IUPAC: 1,3,3,4,4,4-hexachlorobut-1-yne.
Chemical Property Profile of 1-Hexachlorobutyne
Property Insights of 1-Hexachlorobutyne
The XLogP value of 4.3 indicates that 1-Hexachlorobutyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Hexachlorobutyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexachlorobutyne 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 1-Hexachlorobutyne?
The CAS number of 1-Hexachlorobutyne is 83682-47-7.
What is the molecular formula of 1-Hexachlorobutyne?
The molecular formula of 1-Hexachlorobutyne is C4Cl6.
What is the molecular weight of 1-Hexachlorobutyne?
The molecular weight of 1-Hexachlorobutyne is 257.81 g/mol.
Where can I buy 1-Hexachlorobutyne?
You can request a quote for 1-Hexachlorobutyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexachlorobutyne?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexachlorobutyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.