RefChem:443966
TL;DR: RefChem:443966 (CAS 63165-91-3) is a chemical compound with molecular formula C36H46O4 and molecular weight 542.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,3-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]pentane-2,4-dione
Also Known As: 3-[bis(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]pentane-2,4-dione, 2,4-Pentanedione, 3-[bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]-, 2,4-Pentanedione, 3-(2,3-bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)-, 2,4-Pentanedione, 3-(bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)-, 3-(Bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)-2,4-pentanedione
| Molecular Formula | C36H46O4 |
|---|---|
| Molecular Weight | 542.34 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 542.3396 |
| Heavy Atoms | 40 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 63165-91-3 |
|---|---|
| SMILES | CC(=O)C(=C1C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C1=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C(=O)C |
| InChIKey | BYEOJXWRIUWHMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:443966 (CAS 63165-91-3), with molecular formula C36H46O4 and molecular weight 542.34 g/mol. IUPAC: 3-[2,3-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]pentane-2,4-dione.
Chemical Property Profile of RefChem:443966
Property Insights of RefChem:443966
The XLogP value of 7.2 indicates that RefChem:443966 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:443966. Following Lipinski's Rule of Five, RefChem:443966 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:443966?
The CAS number of RefChem:443966 is 63165-91-3.
What is the molecular formula of RefChem:443966?
The molecular formula of RefChem:443966 is C36H46O4.
What is the molecular weight of RefChem:443966?
The molecular weight of RefChem:443966 is 542.34 g/mol.
Where can I buy RefChem:443966?
You can request a quote for RefChem:443966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:443966?
Yes, KEHONG BIO provides custom synthesis services for RefChem:443966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.