1,1,2,3,4-Pentachlorobut-2-ene
TL;DR: 1,1,2,3,4-Pentachlorobut-2-ene (CAS 77753-23-2) is a chemical compound with molecular formula C4H3Cl5 and molecular weight 225.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,3,4-pentachlorobut-2-ene
Also Known As: 1,1,2,3,4-Pentachlorobutene
| Molecular Formula | C4H3Cl5 |
|---|---|
| Molecular Weight | 225.87 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.86479 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 77753-23-2 |
|---|---|
| SMILES | C(C(=C(C(Cl)Cl)Cl)Cl)Cl |
| InChIKey | XRNBDVCEBYZJLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,2,3,4-Pentachlorobut-2-ene (CAS 77753-23-2), with molecular formula C4H3Cl5 and molecular weight 225.87 g/mol. IUPAC: 1,1,2,3,4-pentachlorobut-2-ene.
Chemical Property Profile of 1,1,2,3,4-Pentachlorobut-2-ene
Property Insights of 1,1,2,3,4-Pentachlorobut-2-ene
The XLogP value of 3.3 indicates that 1,1,2,3,4-Pentachlorobut-2-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,2,3,4-Pentachlorobut-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,2,3,4-Pentachlorobut-2-ene 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 1,1,2,3,4-Pentachlorobut-2-ene?
The CAS number of 1,1,2,3,4-Pentachlorobut-2-ene is 77753-23-2.
What is the molecular formula of 1,1,2,3,4-Pentachlorobut-2-ene?
The molecular formula of 1,1,2,3,4-Pentachlorobut-2-ene is C4H3Cl5.
What is the molecular weight of 1,1,2,3,4-Pentachlorobut-2-ene?
The molecular weight of 1,1,2,3,4-Pentachlorobut-2-ene is 225.87 g/mol.
Where can I buy 1,1,2,3,4-Pentachlorobut-2-ene?
You can request a quote for 1,1,2,3,4-Pentachlorobut-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,2,3,4-Pentachlorobut-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 1,1,2,3,4-Pentachlorobut-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.