RefChem:548491
TL;DR: RefChem:548491 (CAS 69828-92-8) is a chemical compound with molecular formula C45H48O3 and molecular weight 636.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[2,3-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]anthracen-9-one
Also Known As: 10-[bis(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]anthracen-9(10h)-one, 9(10H)-Anthracenone, 10-[bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]-, 9(10H)-Anthracenone, 10-(2,3-bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)-, 9(10H)-Anthracenone, 10-(bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)-, 10-[2,3-Bis[3,5-bis -4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]anthracen-9 -one
| Molecular Formula | C45H48O3 |
|---|---|
| Molecular Weight | 636.36 g/mol |
| LogP | 10.2 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 636.36035 |
| Heavy Atoms | 48 |
| Complexity | 1500.0 |
Chemical Identifiers
| CAS Number | 69828-92-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C2C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C2=C4C5=CC=CC=C5C(=O)C6=CC=CC=C64)C=C(C1=O)C(C)(C)C |
| InChIKey | OAVHGANHJQSESM-UHFFFAOYSA-N |
Product Overview
RefChem:548491 (CAS 69828-92-8), with molecular formula C45H48O3 and molecular weight 636.36 g/mol. IUPAC: 10-[2,3-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]anthracen-9-one.
Chemical Property Profile of RefChem:548491
Property Insights of RefChem:548491
The XLogP value of 10.2 indicates that RefChem:548491 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, RefChem:548491 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:548491 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:548491?
The CAS number of RefChem:548491 is 69828-92-8.
What is the molecular formula of RefChem:548491?
The molecular formula of RefChem:548491 is C45H48O3.
What is the molecular weight of RefChem:548491?
The molecular weight of RefChem:548491 is 636.36 g/mol.
Where can I buy RefChem:548491?
You can request a quote for RefChem:548491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:548491?
Yes, KEHONG BIO provides custom synthesis services for RefChem:548491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.