3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester
TL;DR: 3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester (CAS 75147-20-5) 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 2,2,3,4,4-pentachlorobut-3-enoate
Also Known As: 3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester, Butyl 2,2,3,4,4-pentachloro-3-butenoate, butyl 2,2,3,4,4-pentachlorobut-3-enoate, n-Butyl 2,2,3,4,4-pentachloro-3-butenoate, 2,2,3,4,4-Pentachloro-3-butenoic acid, n-butyl ester
| Molecular Formula | C8H9Cl5O2 |
|---|---|
| Molecular Weight | 311.90 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.90158 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 75147-20-5 |
|---|---|
| SMILES | CCCCOC(=O)C(C(=C(Cl)Cl)Cl)(Cl)Cl |
| InChIKey | JZJILZTVTMMGAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester (CAS 75147-20-5), with molecular formula C8H9Cl5O2 and molecular weight 311.90 g/mol. IUPAC: butyl 2,2,3,4,4-pentachlorobut-3-enoate.
Chemical Property Profile of 3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester
Property Insights of 3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester
The XLogP value of 4.9 indicates that 3-Butenoic acid, 2,2,3,4,4-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, 3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenoic acid, 2,2,3,4,4-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 3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester?
The CAS number of 3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester is 75147-20-5.
What is the molecular formula of 3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester?
The molecular formula of 3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester is C8H9Cl5O2.
What is the molecular weight of 3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester?
The molecular weight of 3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester is 311.90 g/mol.
Where can I buy 3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester?
You can request a quote for 3-Butenoic acid, 2,2,3,4,4-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 3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.