2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide)
TL;DR: 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide) (CAS 296771-31-8) is a chemical compound with molecular formula C16H24N4O2S3 and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-[[3-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-4-cyano-1,2-thiazol-5-yl]sulfanyl]acetamide
Also Known As: TimTec1_005386, A1174/0054517, 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide), 2,2'-[(4-cyano-1,2-thiazole-3,5-diyl)disulfanediyl]bis(N-tert-butylacetamide), N-(tert-butyl)-2-(5-{[N-(tert-butyl)carbamoyl]methylthio}-4-cyanoisothiazol-3- ylthio)acetamide
| Molecular Formula | C16H24N4O2S3 |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.10614 |
| Heavy Atoms | 25 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 296771-31-8 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CSC1=C(C(=NS1)SCC(=O)NC(C)(C)C)C#N |
| InChIKey | ORLBHKOZQGSSJY-UHFFFAOYSA-N |
Product Overview
2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide) (CAS 296771-31-8), with molecular formula C16H24N4O2S3 and molecular weight 400.11 g/mol. IUPAC: N-tert-butyl-2-[[3-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-4-cyano-1,2-thiazol-5-yl]sulfanyl]acetamide.
Chemical Property Profile of 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide)
Property Insights of 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide)
The XLogP value of 3.1 indicates that 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.0 Ų indicates high polarity, suggesting 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide) has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide)?
The CAS number of 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide) is 296771-31-8.
What is the molecular formula of 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide)?
The molecular formula of 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide) is C16H24N4O2S3.
What is the molecular weight of 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide)?
The molecular weight of 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide) is 400.11 g/mol.
Where can I buy 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide)?
You can request a quote for 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(tert-butyl)acetamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.