六氯环己-2,5-二烯-1-酮
TL;DR: 六氯环己-2,5-二烯-1-酮 (CAS 599-52-0) is a chemical compound with molecular formula C6Cl6O and molecular weight 297.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六氯环己-2,5-二烯-1-酮
2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one
Also Known As: Hexachlorfenol, Hexachlorocyclohexadienone, HEXACHLOROPHENOL, Hexachlorfenol [Czech], USAF DO-65
| Molecular Formula | C6Cl6O |
|---|---|
| Molecular Weight | 297.81 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 299.80508 |
| Heavy Atoms | 13 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 599-52-0 |
|---|---|
| SMILES | C1(=C(C(C(=C(C1=O)Cl)Cl)(Cl)Cl)Cl)Cl |
| InChIKey | SLKWROUNLHVIIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六氯环己-2,5-二烯-1-酮 (CAS 599-52-0), with molecular formula C6Cl6O and molecular weight 297.81 g/mol. IUPAC: 2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 六氯环己-2,5-二烯-1-酮
Property Insights of 六氯环己-2,5-二烯-1-酮
The XLogP value of 4.1 indicates that 六氯环己-2,5-二烯-1-酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 六氯环己-2,5-二烯-1-酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 六氯环己-2,5-二烯-1-酮 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 六氯环己-2,5-二烯-1-酮?
The CAS number of 六氯环己-2,5-二烯-1-酮 is 599-52-0.
What is the molecular formula of 六氯环己-2,5-二烯-1-酮?
The molecular formula of 六氯环己-2,5-二烯-1-酮 is C6Cl6O.
What is the molecular weight of 六氯环己-2,5-二烯-1-酮?
The molecular weight of 六氯环己-2,5-二烯-1-酮 is 297.81 g/mol.
Where can I buy 六氯环己-2,5-二烯-1-酮?
You can request a quote for 六氯环己-2,5-二烯-1-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六氯环己-2,5-二烯-1-酮?
Yes, KEHONG BIO provides custom synthesis services for 六氯环己-2,5-二烯-1-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.