RefChem:438602
TL;DR: RefChem:438602 (CAS 63165-94-6) is a chemical compound with molecular formula C40H44O4 and molecular weight 588.32 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]indene-1,3-dione
Also Known As: 1H-Indene-1,3(2H)-dione, 2-[bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]-, 1H-Indene-1,3(2H)-dione, 2-(2,3-bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)-, 1H-Indene-1,3(2H)-dione, 2-(bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)-, 2-(Bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)-1H-indene-1,3(2H)-dione, 2-[bis(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]-1h-indene-1,3(2h)-dione
| Molecular Formula | C40H44O4 |
|---|---|
| Molecular Weight | 588.32 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 588.324 |
| Heavy Atoms | 44 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 63165-94-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C2C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C2=C4C(=O)C5=CC=CC=C5C4=O)C=C(C1=O)C(C)(C)C |
| InChIKey | ZTSYKAABROVZNW-UHFFFAOYSA-N |
Product Overview
RefChem:438602 (CAS 63165-94-6), with molecular formula C40H44O4 and molecular weight 588.32 g/mol. IUPAC: 2-[2,3-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]indene-1,3-dione.
Chemical Property Profile of RefChem:438602
Property Insights of RefChem:438602
The XLogP value of 8.7 indicates that RefChem:438602 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:438602. Following Lipinski's Rule of Five, RefChem:438602 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:438602?
The CAS number of RefChem:438602 is 63165-94-6.
What is the molecular formula of RefChem:438602?
The molecular formula of RefChem:438602 is C40H44O4.
What is the molecular weight of RefChem:438602?
The molecular weight of RefChem:438602 is 588.32 g/mol.
Where can I buy RefChem:438602?
You can request a quote for RefChem:438602 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:438602?
Yes, KEHONG BIO provides custom synthesis services for RefChem:438602 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.