![2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide structure](/static/products/840/840477-38-5.png)
2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide
TL;DR: 2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide (CAS 840477-38-5) is a chemical compound with molecular formula C20H24N8O2S3 and molecular weight 504.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[8-(2-amino-2-oxoethyl)sulfanyl-16-tert-butyl-19-thia-2,4,5,7,9,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl]sulfanyl]acetamide
Also Known As: 2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide, 2,2'-[(11-tert-butyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyl)disulfanediyl]diacetamide
| Molecular Formula | C20H24N8O2S3 |
|---|---|
| Molecular Weight | 504.12 g/mol |
| LogP | 2.2925 |
| Topological Polar Surface Area | 146.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.11844 |
| Heavy Atoms | 33 |
| Complexity | 1414.0823 |
Chemical Identifiers
| CAS Number | 840477-38-5 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NN=C(N4C5=NN=C(N35)SCC(=O)N)SCC(=O)N |
Product Overview
2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide (CAS 840477-38-5), with molecular formula C20H24N8O2S3 and molecular weight 504.12 g/mol. IUPAC: 2-[[8-(2-amino-2-oxoethyl)sulfanyl-16-tert-butyl-19-thia-2,4,5,7,9,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide
Property Insights of 2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide
The XLogP value of 2.2925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide. The TPSA of 146.56 Ų indicates high polarity, suggesting 2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide?
The CAS number of 2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide is 840477-38-5.
What is the molecular formula of 2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide?
The molecular formula of 2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide is C20H24N8O2S3.
What is the molecular weight of 2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide?
The molecular weight of 2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide is 504.12 g/mol.
Where can I buy 2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide?
You can request a quote for 2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-((11-(tert-butyl)-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:4',3'-c]pyrimidine-3,7-diyl)bis(sulfanediyl))diacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.