Butyl 2,3,4,4-tetrachloro-3-butenoate
TL;DR: Butyl 2,3,4,4-tetrachloro-3-butenoate (CAS 2892-61-7) is a chemical compound with molecular formula C8H10Cl4O2 and molecular weight 277.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,3,4,4-tetrachlorobut-3-enoate
Also Known As: butyl 2,3,4,4-tetrachlorobut-3-enoate, Butyl 2,3,4,4-tetrachloro-3-butenoate, 2,3,4,4-Tetrachloro-3-butenoic acid butyl ester, 3-Butenoic acid,2,3,4,4-tetrachloro-, butyl ester, EINECS 220-763-5
| Molecular Formula | C8H10Cl4O2 |
|---|---|
| Molecular Weight | 277.94 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.94055 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 2892-61-7 |
|---|---|
| SMILES | CCCCOC(=O)C(C(=C(Cl)Cl)Cl)Cl |
| InChIKey | ABQQFYPRVNNXNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 2,3,4,4-tetrachloro-3-butenoate (CAS 2892-61-7), with molecular formula C8H10Cl4O2 and molecular weight 277.94 g/mol. IUPAC: butyl 2,3,4,4-tetrachlorobut-3-enoate.
Chemical Property Profile of Butyl 2,3,4,4-tetrachloro-3-butenoate
Property Insights of Butyl 2,3,4,4-tetrachloro-3-butenoate
The XLogP value of 4.4 indicates that Butyl 2,3,4,4-tetrachloro-3-butenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 2,3,4,4-tetrachloro-3-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2,3,4,4-tetrachloro-3-butenoate has 0 hydrogen bond donor(s) and 2 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 Butyl 2,3,4,4-tetrachloro-3-butenoate?
The CAS number of Butyl 2,3,4,4-tetrachloro-3-butenoate is 2892-61-7.
What is the molecular formula of Butyl 2,3,4,4-tetrachloro-3-butenoate?
The molecular formula of Butyl 2,3,4,4-tetrachloro-3-butenoate is C8H10Cl4O2.
What is the molecular weight of Butyl 2,3,4,4-tetrachloro-3-butenoate?
The molecular weight of Butyl 2,3,4,4-tetrachloro-3-butenoate is 277.94 g/mol.
Where can I buy Butyl 2,3,4,4-tetrachloro-3-butenoate?
You can request a quote for Butyl 2,3,4,4-tetrachloro-3-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2,3,4,4-tetrachloro-3-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2,3,4,4-tetrachloro-3-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.