RefChem:868908
TL;DR: RefChem:868908 (CAS 63165-89-9) is a chemical compound with molecular formula C34H40N2O2 and molecular weight 508.31 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]propanedinitrile
Also Known As: KST-1A7060, (Bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)propanedinitrile, Propanedinitrile, [bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]-, [bis(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]malononitrile, Propanedinitrile, (bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)-
| Molecular Formula | C34H40N2O2 |
|---|---|
| Molecular Weight | 508.31 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 508.309 |
| Heavy Atoms | 38 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 63165-89-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C2C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C2=C(C#N)C#N)C=C(C1=O)C(C)(C)C |
| InChIKey | ZLFMSZWJQSGGBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:868908 (CAS 63165-89-9), with molecular formula C34H40N2O2 and molecular weight 508.31 g/mol. IUPAC: 2-[2,3-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]propanedinitrile.
Chemical Property Profile of RefChem:868908
Property Insights of RefChem:868908
The XLogP value of 7.2 indicates that RefChem:868908 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:868908. Following Lipinski's Rule of Five, RefChem:868908 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:868908?
The CAS number of RefChem:868908 is 63165-89-9.
What is the molecular formula of RefChem:868908?
The molecular formula of RefChem:868908 is C34H40N2O2.
What is the molecular weight of RefChem:868908?
The molecular weight of RefChem:868908 is 508.31 g/mol.
Where can I buy RefChem:868908?
You can request a quote for RefChem:868908 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:868908?
Yes, KEHONG BIO provides custom synthesis services for RefChem:868908 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.