Ethyl pentachloro-3-butenoate
TL;DR: Ethyl pentachloro-3-butenoate (CAS 76877-60-6) is a chemical compound with molecular formula C6H5Cl5O2 and molecular weight 283.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2,3,4,4-pentachlorobut-3-enoate
Also Known As: Ethyl 2,2,3,4,4-pentachlorobut-3-enoate, ETHYL PENTACHLORO-3-BUTENOATE
| Molecular Formula | C6H5Cl5O2 |
|---|---|
| Molecular Weight | 283.87 g/mol |
| LogP | 3.6089 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.87323 |
| Heavy Atoms | 13 |
| Complexity | 231.17911 |
Chemical Identifiers
| CAS Number | 76877-60-6 |
|---|---|
| SMILES | CCOC(=O)C(C(=C(Cl)Cl)Cl)(Cl)Cl |
Product Overview
Ethyl pentachloro-3-butenoate (CAS 76877-60-6), with molecular formula C6H5Cl5O2 and molecular weight 283.87 g/mol. IUPAC: ethyl 2,2,3,4,4-pentachlorobut-3-enoate.
Chemical Property Profile of Ethyl pentachloro-3-butenoate
Property Insights of Ethyl pentachloro-3-butenoate
The XLogP value of 3.6089 indicates that Ethyl pentachloro-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, Ethyl pentachloro-3-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl pentachloro-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 Ethyl pentachloro-3-butenoate?
The CAS number of Ethyl pentachloro-3-butenoate is 76877-60-6.
What is the molecular formula of Ethyl pentachloro-3-butenoate?
The molecular formula of Ethyl pentachloro-3-butenoate is C6H5Cl5O2.
What is the molecular weight of Ethyl pentachloro-3-butenoate?
The molecular weight of Ethyl pentachloro-3-butenoate is 283.87 g/mol.
Where can I buy Ethyl pentachloro-3-butenoate?
You can request a quote for Ethyl pentachloro-3-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl pentachloro-3-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl pentachloro-3-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.