![Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate structure](/static/products/311/311333-75-2.png)
Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate
TL;DR: Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate (CAS 311333-75-2) is a chemical compound with molecular formula C22H18N2O4S3 and molecular weight 470.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[4-cyano-3-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,2-thiazol-5-yl]sulfanyl]acetate
Also Known As: dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate, A1174/0054520, benzyl 2-[[4-cyano-3-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,2-thiazol-5-yl]sulfanyl]acetate, dibenzyl 2,2'-((4-cyanoisothiazole-3,5-diyl)bis(sulfanediyl))diacetate, dibenzyl 2,2'-[(4-cyano-1,2-thiazole-3,5-diyl)disulfanediyl]diacetate
| Molecular Formula | C22H18N2O4S3 |
|---|---|
| Molecular Weight | 470.04 g/mol |
| LogP | 4.68578 |
| Topological Polar Surface Area | 89.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 470.04288 |
| Heavy Atoms | 31 |
| Complexity | 972.6229 |
Chemical Identifiers
| CAS Number | 311333-75-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CSC2=C(C(=NS2)SCC(=O)OCC3=CC=CC=C3)C#N |
Product Overview
Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate (CAS 311333-75-2), with molecular formula C22H18N2O4S3 and molecular weight 470.04 g/mol. IUPAC: benzyl 2-[[4-cyano-3-(2-oxo-2-phenylmethoxyethyl)sulfanyl-1,2-thiazol-5-yl]sulfanyl]acetate.
Chemical Property Profile of Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate
Property Insights of Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate
The XLogP value of 4.68578 indicates that Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate. Following Lipinski's Rule of Five, Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate has 0 hydrogen bond donor(s) and 9 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 Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate?
The CAS number of Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate is 311333-75-2.
What is the molecular formula of Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate?
The molecular formula of Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate is C22H18N2O4S3.
What is the molecular weight of Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate?
The molecular weight of Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate is 470.04 g/mol.
Where can I buy Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate?
You can request a quote for Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate?
Yes, KEHONG BIO provides custom synthesis services for Dibenzyl 2,2'-[(4-cyano-3,5-isothiazolediyl)bis(thio)]diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.