1,1,2,4,4-Pentachlorobuta-1,3-diene
TL;DR: 1,1,2,4,4-Pentachlorobuta-1,3-diene (CAS 21400-41-9) is a chemical compound with molecular formula C4HCl5 and molecular weight 223.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,4,4-pentachlorobuta-1,3-diene
Also Known As: PENTACHLOROBUTADIENE, Pentachloro-1,3-butadiene, 1,1,2,4,4-pentachlorobuta-1,3-diene, 1,3-Butadiene, pentachloro-, C4HCl5
| Molecular Formula | C4HCl5 |
|---|---|
| Molecular Weight | 223.85 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.84914 |
| Heavy Atoms | 9 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 21400-41-9 |
|---|---|
| SMILES | C(=C(Cl)Cl)C(=C(Cl)Cl)Cl |
| InChIKey | WVFBDVFCOCLEFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,2,4,4-Pentachlorobuta-1,3-diene (CAS 21400-41-9), with molecular formula C4HCl5 and molecular weight 223.85 g/mol. IUPAC: 1,1,2,4,4-pentachlorobuta-1,3-diene.
Chemical Property Profile of 1,1,2,4,4-Pentachlorobuta-1,3-diene
Property Insights of 1,1,2,4,4-Pentachlorobuta-1,3-diene
The XLogP value of 4.5 indicates that 1,1,2,4,4-Pentachlorobuta-1,3-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,2,4,4-Pentachlorobuta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,2,4,4-Pentachlorobuta-1,3-diene 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 1,1,2,4,4-Pentachlorobuta-1,3-diene?
The CAS number of 1,1,2,4,4-Pentachlorobuta-1,3-diene is 21400-41-9.
What is the molecular formula of 1,1,2,4,4-Pentachlorobuta-1,3-diene?
The molecular formula of 1,1,2,4,4-Pentachlorobuta-1,3-diene is C4HCl5.
What is the molecular weight of 1,1,2,4,4-Pentachlorobuta-1,3-diene?
The molecular weight of 1,1,2,4,4-Pentachlorobuta-1,3-diene is 223.85 g/mol.
Where can I buy 1,1,2,4,4-Pentachlorobuta-1,3-diene?
You can request a quote for 1,1,2,4,4-Pentachlorobuta-1,3-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,2,4,4-Pentachlorobuta-1,3-diene?
Yes, KEHONG BIO provides custom synthesis services for 1,1,2,4,4-Pentachlorobuta-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.