2,2,3,4,4-Pentachloro-3-butenoic acid
TL;DR: 2,2,3,4,4-Pentachloro-3-butenoic acid (CAS 85743-61-9) is a chemical compound with molecular formula C4HCl5O2 and molecular weight 255.84192 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,3,4,4-pentachlorobut-3-enoic acid
Also Known As: Pentachloro-3-butenoic acid, 3-Butenoic acid, pentachloro-, C4HCl5O2, PC-3-BA, 2,2,3,4,4-Pentachloro-3-butenoic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4HCl5O2 |
| Molecular Weight | 255.84192 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.83896 Da |
| Heavy Atoms | 11 |
| Complexity | 205.0 |
| SMILES | C(=C(Cl)Cl)(C(C(=O)O)(Cl)Cl)Cl |
| InChIKey | CKGWGTNKIWPBKE-UHFFFAOYSA-N |
Chemical Property Profile of 2,2,3,4,4-Pentachloro-3-butenoic acid
Property Insights of 2,2,3,4,4-Pentachloro-3-butenoic acid
The XLogP value of 3.3 indicates that 2,2,3,4,4-Pentachloro-3-butenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2,2,3,4,4-Pentachloro-3-butenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3,4,4-Pentachloro-3-butenoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,2,3,4,4-Pentachloro-3-butenoic acid?
The CAS number of 2,2,3,4,4-Pentachloro-3-butenoic acid is 85743-61-9.
What is the molecular formula of 2,2,3,4,4-Pentachloro-3-butenoic acid?
The molecular formula of 2,2,3,4,4-Pentachloro-3-butenoic acid is C4HCl5O2.
What is the molecular weight of 2,2,3,4,4-Pentachloro-3-butenoic acid?
The molecular weight of 2,2,3,4,4-Pentachloro-3-butenoic acid is 255.84192 g/mol.
Where can I buy 2,2,3,4,4-Pentachloro-3-butenoic acid?
You can request a quote for 2,2,3,4,4-Pentachloro-3-butenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2,3,4,4-Pentachloro-3-butenoic acid?
Yes, CoreyChem provides custom synthesis services for 2,2,3,4,4-Pentachloro-3-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.