2,3-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile
TL;DR: 2,3-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile (CAS 96519-65-2) is a chemical compound with molecular formula C22H36N2O2S2 and molecular weight 424.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile
Also Known As: 2,3-bis(tert-butylthio)-2,3-bis(2-oxopentyl)succinonitrile, 2,3-bis(2-oxopentyl)-2,3-bis(tert-butylsulfanyl)butanedinitrile, 2,3-bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile
| Molecular Formula | C22H36N2O2S2 |
|---|---|
| Molecular Weight | 424.22 g/mol |
| LogP | 6.09316 |
| Topological Polar Surface Area | 81.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 424.22183 |
| Heavy Atoms | 28 |
| Complexity | 578.8831 |
Chemical Identifiers
| CAS Number | 96519-65-2 |
|---|---|
| SMILES | CCCC(=O)CC(C#N)(C(CC(=O)CCC)(C#N)SC(C)(C)C)SC(C)(C)C |
Product Overview
2,3-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile (CAS 96519-65-2), with molecular formula C22H36N2O2S2 and molecular weight 424.22 g/mol. IUPAC: 2,3-bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile.
Chemical Property Profile of 2,3-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile
Property Insights of 2,3-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile
The XLogP value of 6.09316 indicates that 2,3-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile. Following Lipinski's Rule of Five, 2,3-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile has 0 hydrogen bond donor(s) and 6 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-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile?
The CAS number of 2,3-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile is 96519-65-2.
What is the molecular formula of 2,3-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile?
The molecular formula of 2,3-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile is C22H36N2O2S2.
What is the molecular weight of 2,3-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile?
The molecular weight of 2,3-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile is 424.22 g/mol.
Where can I buy 2,3-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile?
You can request a quote for 2,3-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Bis(tert-butylsulfanyl)-2,3-bis(2-oxopentyl)butanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.