2,3,4,4,5-Pentachlorocyclopent-2-en-1-one
TL;DR: 2,3,4,4,5-Pentachlorocyclopent-2-en-1-one (CAS 5659-47-2) is a chemical compound with molecular formula C5HCl5O and molecular weight 251.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,4,5-pentachlorocyclopent-2-en-1-one
Also Known As: pentachlorocyclopentenone, C5HCl5O, 2,3,4,4,5-Pentachlorocyclopent-2-en-1-one, 2,3,4,4,5-pentachloro-2-cyclopenten-1-one, 2,3,4,4,5-Pentachlorocylcopentenone
| Molecular Formula | C5HCl5O |
|---|---|
| Molecular Weight | 251.85 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 253.84406 |
| Heavy Atoms | 11 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 5659-47-2 |
|---|---|
| SMILES | C1(C(=O)C(=C(C1(Cl)Cl)Cl)Cl)Cl |
| InChIKey | OCLLQGWDUVFOFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,4,5-Pentachlorocyclopent-2-en-1-one (CAS 5659-47-2), with molecular formula C5HCl5O and molecular weight 251.85 g/mol. IUPAC: 2,3,4,4,5-pentachlorocyclopent-2-en-1-one.
Chemical Property Profile of 2,3,4,4,5-Pentachlorocyclopent-2-en-1-one
Property Insights of 2,3,4,4,5-Pentachlorocyclopent-2-en-1-one
The XLogP value of 3.1 indicates that 2,3,4,4,5-Pentachlorocyclopent-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,3,4,4,5-Pentachlorocyclopent-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,4,5-Pentachlorocyclopent-2-en-1-one has 0 hydrogen bond donor(s) and 1 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 2,3,4,4,5-Pentachlorocyclopent-2-en-1-one?
The CAS number of 2,3,4,4,5-Pentachlorocyclopent-2-en-1-one is 5659-47-2.
What is the molecular formula of 2,3,4,4,5-Pentachlorocyclopent-2-en-1-one?
The molecular formula of 2,3,4,4,5-Pentachlorocyclopent-2-en-1-one is C5HCl5O.
What is the molecular weight of 2,3,4,4,5-Pentachlorocyclopent-2-en-1-one?
The molecular weight of 2,3,4,4,5-Pentachlorocyclopent-2-en-1-one is 251.85 g/mol.
Where can I buy 2,3,4,4,5-Pentachlorocyclopent-2-en-1-one?
You can request a quote for 2,3,4,4,5-Pentachlorocyclopent-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,4,5-Pentachlorocyclopent-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,4,5-Pentachlorocyclopent-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.