2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone
TL;DR: 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone (CAS 135432-47-2) is a chemical compound with molecular formula C24H24O2S2 and molecular weight 408.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(benzylsulfanyl)-5-tert-butylcyclohexa-2,5-diene-1,4-dione
Also Known As: 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone, 2,3-bis(benzylsulfanyl)-5-tert-butylcyclohexa-2,5-diene-1,4-dione, 2,5-Cyclohexadiene-1,4-dione,5-(1,1-dimethylethyl)-2,3-bis[(phenylmethyl)thio]-, 2,5-Cyclohexadiene-1,4-dione, 5-(1,1-dimethylethyl)-2,3-bis((phenylmethyl)thio)-, 2,5-Cyclohexadiene-1,4-dione,5-(1,1-dimethylethyl)-2,3-bis[(phenylmethyl)thio]
| Molecular Formula | C24H24O2S2 |
|---|---|
| Molecular Weight | 408.12 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.12177 |
| Heavy Atoms | 28 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 135432-47-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=O)C(=C(C1=O)SCC2=CC=CC=C2)SCC3=CC=CC=C3 |
| InChIKey | CESZLEICCACLBO-UHFFFAOYSA-N |
Product Overview
2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone (CAS 135432-47-2), with molecular formula C24H24O2S2 and molecular weight 408.12 g/mol. IUPAC: 2,3-bis(benzylsulfanyl)-5-tert-butylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone
Property Insights of 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone
The XLogP value of 6.1 indicates that 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone. Following Lipinski's Rule of Five, 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone 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 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone?
The CAS number of 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone is 135432-47-2.
What is the molecular formula of 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone?
The molecular formula of 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone is C24H24O2S2.
What is the molecular weight of 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone?
The molecular weight of 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone is 408.12 g/mol.
Where can I buy 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone?
You can request a quote for 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dibenzylthio-6-tert-butyl-4-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.