2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester
TL;DR: 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester (CAS 21824-93-1) is a chemical compound with molecular formula C8H9Cl5O2 and molecular weight 311.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,3,4,4,4-pentachlorobut-2-enoate
Also Known As: butyl perchlorocrotonate, n-butylperchlorocrotonate, Butyl 2,3,4,4,4-pentachlorocrotonate, 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester, butyl 2,3,4,4,4-pentachlorobut-2-enoate
| Molecular Formula | C8H9Cl5O2 |
|---|---|
| Molecular Weight | 311.90 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.90158 |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 21824-93-1 |
|---|---|
| SMILES | CCCCOC(=O)C(=C(C(Cl)(Cl)Cl)Cl)Cl |
| InChIKey | XZSVYPVMTCFPMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester (CAS 21824-93-1), with molecular formula C8H9Cl5O2 and molecular weight 311.90 g/mol. IUPAC: butyl 2,3,4,4,4-pentachlorobut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester
Property Insights of 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester
The XLogP value of 4.7 indicates that 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester 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 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester?
The CAS number of 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester is 21824-93-1.
What is the molecular formula of 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester?
The molecular formula of 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester is C8H9Cl5O2.
What is the molecular weight of 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester?
The molecular weight of 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester is 311.90 g/mol.
Where can I buy 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester?
You can request a quote for 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 2,3,4,4,4-pentachloro-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.