RefChem:247175
TL;DR: RefChem:247175 (CAS 63165-92-4) is a chemical compound with molecular formula C36H40Cl4O2 and molecular weight 644.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)cyclopropylidene]cyclohexa-2,5-dien-1-one
Also Known As: 2,5-Cyclohexadien-1-one, 4,4'-[3-(2,3,4,5-tetrachloro-2,4-cyclopentadien-1-ylidene)-1,2-cyclopropanediylidene]bis[2,6-bis(1,1-dimethylethyl)-, 4,4'-[3-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)cyclopropane-1,2-diylidene]bis(2,6-di-tert-butylcyclohexa-2,5-dien-1-one), 2,5-Cyclohexadien-1-one, 4,4'-(3-(2,3,4,5-tetrachloro-2,4-cyclopentadien-1-ylidene)-1,2-cyclopropanediylidene)bis(2,6-bis(1,1-dimethylethyl)-, 4,4'-(3-(2,3,4,5-Tetrachloro-2,4-cyclopentadien-1-ylidene)-1,2-cyclopropanediylidene)bis(2,6-bis(1,1-dimethylethyl)-2,5-cyclohexadien-1-one), 2,4,6-Tris(2'-(alpha-chlorotolyldiethylammonio)ethylamino)-s-triazine trichloride
| Molecular Formula | C36H40Cl4O2 |
|---|---|
| Molecular Weight | 644.18 g/mol |
| LogP | 10.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 646.1753 |
| Heavy Atoms | 42 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 63165-92-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C2C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C2=C4C(=C(C(=C4Cl)Cl)Cl)Cl)C=C(C1=O)C(C)(C)C |
| InChIKey | FCTBSPVIRNBFRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:247175 (CAS 63165-92-4), with molecular formula C36H40Cl4O2 and molecular weight 644.18 g/mol. IUPAC: 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3-(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)cyclopropylidene]cyclohexa-2,5-dien-1-one.
Chemical Property Profile of RefChem:247175
Property Insights of RefChem:247175
The XLogP value of 10.1 indicates that RefChem:247175 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, RefChem:247175 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:247175 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:247175?
The CAS number of RefChem:247175 is 63165-92-4.
What is the molecular formula of RefChem:247175?
The molecular formula of RefChem:247175 is C36H40Cl4O2.
What is the molecular weight of RefChem:247175?
The molecular weight of RefChem:247175 is 644.18 g/mol.
Where can I buy RefChem:247175?
You can request a quote for RefChem:247175 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:247175?
Yes, KEHONG BIO provides custom synthesis services for RefChem:247175 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.