![3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile structure](/static/products/258/258347-82-9.png)
3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile
TL;DR: 3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile (CAS 258347-82-9) is a chemical compound with molecular formula C32H34N6O10S3 and molecular weight 758.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis[[2-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-2-oxoethyl]sulfanyl]-1,2-thiazole-4-carbonitrile
Also Known As: 3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile, 3,5-bis[[2-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-2-oxoethyl]sulfanyl]-1,2-thiazole-4-carbonitrile, bis({[2-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-2-oxoethyl]sulfanyl})-1,2-thiazole-4-carbonitrile
| Molecular Formula | C32H34N6O10S3 |
|---|---|
| Molecular Weight | 758.15 g/mol |
| LogP | 8.42626 |
| Topological Polar Surface Area | 243.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Exact Mass | 758.14984 |
| Heavy Atoms | 51 |
| Complexity | 1867.2388 |
Chemical Identifiers
| CAS Number | 258347-82-9 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)CSC2=C(C(=NS2)SCC(=O)C3=C(C(=C(C(=C3C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C#N |
Product Overview
3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile (CAS 258347-82-9), with molecular formula C32H34N6O10S3 and molecular weight 758.15 g/mol. IUPAC: 3,5-bis[[2-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-2-oxoethyl]sulfanyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile
Property Insights of 3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile
The XLogP value of 8.42626 indicates that 3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 243.38 Ų indicates high polarity, suggesting 3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile?
The CAS number of 3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile is 258347-82-9.
What is the molecular formula of 3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile?
The molecular formula of 3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile is C32H34N6O10S3.
What is the molecular weight of 3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile?
The molecular weight of 3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile is 758.15 g/mol.
Where can I buy 3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile?
You can request a quote for 3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,5-di({2-[4-(tert-butyl)-2,6-dimethyl-3,5-dinitrophenyl]-2-oxoethyl}thio)isothiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.