3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic acid
TL;DR: 3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic acid (CAS 99165-95-4) is a chemical compound with molecular formula C5HCl5O3 and molecular weight 283.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3,4,5,5,5-pentachloro-2-oxopent-3-enoic acid
Also Known As: 3,4,5,5,5-PENTACHLORO-2-OXO-3-PENTENOIC ACID, J1.598.088E, 3-Pentenoic acid, 3,4,5,5,5-pentachloro-2-oxo-, 3,4,5,5,5-pentachloro-2-oxopent-3-enoic acid, (E)-3,4,5,5,5-pentachloro-2-oxopent-3-enoic acid
| Molecular Formula | C5HCl5O3 |
|---|---|
| Molecular Weight | 283.84 g/mol |
| LogP | 2.6995 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.83682 |
| Heavy Atoms | 13 |
| Complexity | 276.38467 |
Chemical Identifiers
| CAS Number | 99165-95-4 |
|---|---|
| SMILES | C(=C(/C(Cl)(Cl)Cl)\Cl)(\C(=O)C(=O)O)/Cl |
Product Overview
3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic acid (CAS 99165-95-4), with molecular formula C5HCl5O3 and molecular weight 283.84 g/mol. IUPAC: (E)-3,4,5,5,5-pentachloro-2-oxopent-3-enoic acid.
Chemical Property Profile of 3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic acid
Property Insights of 3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic acid
The XLogP value of 2.6995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic 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
Frequently Asked Questions
What is the CAS number of 3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic acid?
The CAS number of 3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic acid is 99165-95-4.
What is the molecular formula of 3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic acid?
The molecular formula of 3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic acid is C5HCl5O3.
What is the molecular weight of 3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic acid?
The molecular weight of 3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic acid is 283.84 g/mol.
Where can I buy 3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic acid?
You can request a quote for 3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,5,5-Pentachloro-2-oxo-3-pentenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.