Trichlorobutene
TL;DR: Trichlorobutene (CAS 13279-84-0) is a chemical compound with molecular formula C4H5Cl3 and molecular weight 157.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trichlorobut-1-ene
Also Known As: 4,4,4-trichlorobut-1-ene, TRICHLOROBUTENE, Butene, trichloro-, Trichlorobutylene, 4,4,4-Trichloro-1-butene
| Molecular Formula | C4H5Cl3 |
|---|---|
| Molecular Weight | 157.95 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.94568 |
| Heavy Atoms | 7 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 13279-84-0 |
|---|---|
| SMILES | C=CCC(Cl)(Cl)Cl |
| InChIKey | AKQZPPKQVZVYCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trichlorobutene (CAS 13279-84-0), with molecular formula C4H5Cl3 and molecular weight 157.95 g/mol. IUPAC: 4,4,4-trichlorobut-1-ene.
Chemical Property Profile of Trichlorobutene
Property Insights of Trichlorobutene
The XLogP value of 3.2 indicates that Trichlorobutene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Trichlorobutene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichlorobutene 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 Trichlorobutene?
The CAS number of Trichlorobutene is 13279-84-0.
What is the molecular formula of Trichlorobutene?
The molecular formula of Trichlorobutene is C4H5Cl3.
What is the molecular weight of Trichlorobutene?
The molecular weight of Trichlorobutene is 157.95 g/mol.
Where can I buy Trichlorobutene?
You can request a quote for Trichlorobutene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichlorobutene?
Yes, KEHONG BIO provides custom synthesis services for Trichlorobutene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.