1,1,2,4-Tetrachlorobut-1-en-3-yne
TL;DR: 1,1,2,4-Tetrachlorobut-1-en-3-yne (CAS 5658-91-3) is a chemical compound with molecular formula C4Cl4 and molecular weight 187.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,4-tetrachlorobut-1-en-3-yne
Also Known As: perchlorobutenyne, Perchloro-1-buten-3-in, 1,1,2,4-tetrachlorobut-1-en-3-yne, Tetrachloro-1-buten-3-yne, 1-Buten-3-yne, tetrachloro-
| Molecular Formula | C4Cl4 |
|---|---|
| Molecular Weight | 187.88 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.87541 |
| Heavy Atoms | 8 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 5658-91-3 |
|---|---|
| SMILES | C(#CCl)C(=C(Cl)Cl)Cl |
| InChIKey | YOKYQLFAWHTQRR-UHFFFAOYSA-N |
Product Overview
1,1,2,4-Tetrachlorobut-1-en-3-yne (CAS 5658-91-3), with molecular formula C4Cl4 and molecular weight 187.88 g/mol. IUPAC: 1,1,2,4-tetrachlorobut-1-en-3-yne.
Chemical Property Profile of 1,1,2,4-Tetrachlorobut-1-en-3-yne
Property Insights of 1,1,2,4-Tetrachlorobut-1-en-3-yne
The XLogP value of 3.8 indicates that 1,1,2,4-Tetrachlorobut-1-en-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, 1,1,2,4-Tetrachlorobut-1-en-3-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,2,4-Tetrachlorobut-1-en-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 1,1,2,4-Tetrachlorobut-1-en-3-yne?
The CAS number of 1,1,2,4-Tetrachlorobut-1-en-3-yne is 5658-91-3.
What is the molecular formula of 1,1,2,4-Tetrachlorobut-1-en-3-yne?
The molecular formula of 1,1,2,4-Tetrachlorobut-1-en-3-yne is C4Cl4.
What is the molecular weight of 1,1,2,4-Tetrachlorobut-1-en-3-yne?
The molecular weight of 1,1,2,4-Tetrachlorobut-1-en-3-yne is 187.88 g/mol.
Where can I buy 1,1,2,4-Tetrachlorobut-1-en-3-yne?
You can request a quote for 1,1,2,4-Tetrachlorobut-1-en-3-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,2,4-Tetrachlorobut-1-en-3-yne?
Yes, KEHONG BIO provides custom synthesis services for 1,1,2,4-Tetrachlorobut-1-en-3-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.