Octachlorocyclohex-2-ene-1-one
TL;DR: Octachlorocyclohex-2-ene-1-one (CAS 4024-81-1) is a chemical compound with molecular formula C6Cl8O and molecular weight 367.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,4,5,5,6,6-octachlorocyclohex-2-en-1-one
Also Known As: Octone, Okton, Perchlorocyclohex-2-en-1-one, Octachlorocyclohexenone, octachlorocyclohex-2-ene-1-one
| Molecular Formula | C6Cl8O |
|---|---|
| Molecular Weight | 367.75 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 371.73984 |
| Heavy Atoms | 15 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 4024-81-1 |
|---|---|
| SMILES | C1(=C(C(C(C(C1=O)(Cl)Cl)(Cl)Cl)(Cl)Cl)Cl)Cl |
| InChIKey | CZLVPINBLDRZCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octachlorocyclohex-2-ene-1-one (CAS 4024-81-1), with molecular formula C6Cl8O and molecular weight 367.75 g/mol. IUPAC: 2,3,4,4,5,5,6,6-octachlorocyclohex-2-en-1-one.
Chemical Property Profile of Octachlorocyclohex-2-ene-1-one
Property Insights of Octachlorocyclohex-2-ene-1-one
The XLogP value of 4.8 indicates that Octachlorocyclohex-2-ene-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, Octachlorocyclohex-2-ene-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octachlorocyclohex-2-ene-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 Octachlorocyclohex-2-ene-1-one?
The CAS number of Octachlorocyclohex-2-ene-1-one is 4024-81-1.
What is the molecular formula of Octachlorocyclohex-2-ene-1-one?
The molecular formula of Octachlorocyclohex-2-ene-1-one is C6Cl8O.
What is the molecular weight of Octachlorocyclohex-2-ene-1-one?
The molecular weight of Octachlorocyclohex-2-ene-1-one is 367.75 g/mol.
Where can I buy Octachlorocyclohex-2-ene-1-one?
You can request a quote for Octachlorocyclohex-2-ene-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octachlorocyclohex-2-ene-1-one?
Yes, KEHONG BIO provides custom synthesis services for Octachlorocyclohex-2-ene-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.