![2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one structure](/static/products/4150/4150-54-3.webp)
2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one
TL;DR: 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one (CAS 4150-54-3) is a chemical compound with molecular formula C34H50N2O2S2 and molecular weight 582.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3,5-ditert-butyl-4-hydroxybenzenecarbothioyl)piperazin-1-yl]-(3,5-ditert-butyl-4-hydroxyphenyl)methanethione
Also Known As: 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one, 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5, 4,4'-[Piperazine-1,4-diylbis(sulfanylmethanylylidene)]bis(2,6-di-tert-butylcyclohexa-2,5-dien-1-one)
| Molecular Formula | C34H50N2O2S2 |
|---|---|
| Molecular Weight | 582.33 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 582.33136 |
| Heavy Atoms | 40 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 4150-54-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=S)N2CCN(CC2)C(=S)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C |
| InChIKey | BLQJZQWMXVQEQB-UHFFFAOYSA-N |
Product Overview
2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one (CAS 4150-54-3), with molecular formula C34H50N2O2S2 and molecular weight 582.33 g/mol. IUPAC: [4-(3,5-ditert-butyl-4-hydroxybenzenecarbothioyl)piperazin-1-yl]-(3,5-ditert-butyl-4-hydroxyphenyl)methanethione.
Chemical Property Profile of 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one
Property Insights of 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one
The XLogP value of 9.5 indicates that 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one. Following Lipinski's Rule of Five, 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one has 2 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 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one?
The CAS number of 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one is 4150-54-3.
What is the molecular formula of 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one?
The molecular formula of 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one is C34H50N2O2S2.
What is the molecular weight of 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one?
The molecular weight of 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one is 582.33 g/mol.
Where can I buy 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one?
You can request a quote for 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.