RefChem:522351
TL;DR: RefChem:522351 (CAS 63165-93-5) is a chemical compound with molecular formula C36H40Cl2O4 and molecular weight 606.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,3-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]-4,5-dichlorocyclopent-4-ene-1,3-dione
Also Known As: C18H26N2O2.ClH.1/2H2O, C18-H26-N2-O2.Cl-H.1/2H2-O, 2-[bis(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]-4,5-dichlorocyclopent-4-ene-1,3-dione, 4-Cyclopentene-1,3-dione, 2-[bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]-4,5-dichloro-, 2-(Bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)-4,5-dichloro-4-cyclopentene-1,3-dione
| Molecular Formula | C36H40Cl2O4 |
|---|---|
| Molecular Weight | 606.23 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 606.23035 |
| Heavy Atoms | 42 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 63165-93-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C2C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C2=C4C(=O)C(=C(C4=O)Cl)Cl)C=C(C1=O)C(C)(C)C |
| InChIKey | OUEZRHUTIMKPKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:522351 (CAS 63165-93-5), with molecular formula C36H40Cl2O4 and molecular weight 606.23 g/mol. IUPAC: 2-[2,3-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]-4,5-dichlorocyclopent-4-ene-1,3-dione.
Chemical Property Profile of RefChem:522351
Property Insights of RefChem:522351
The XLogP value of 9.0 indicates that RefChem:522351 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:522351. Following Lipinski's Rule of Five, RefChem:522351 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:522351?
The CAS number of RefChem:522351 is 63165-93-5.
What is the molecular formula of RefChem:522351?
The molecular formula of RefChem:522351 is C36H40Cl2O4.
What is the molecular weight of RefChem:522351?
The molecular weight of RefChem:522351 is 606.23 g/mol.
Where can I buy RefChem:522351?
You can request a quote for RefChem:522351 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:522351?
Yes, KEHONG BIO provides custom synthesis services for RefChem:522351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.