![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))bis(1-phenylethanone) structure](/static/products/672/672264-92-5.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))bis(1-phenylethanone)
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))bis(1-phenylethanone) (CAS 672264-92-5) is a chemical compound with molecular formula C32H30N6O2S3 and molecular weight 626.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(16-tert-butyl-8-phenacylsulfanyl-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]-1-phenylethanone
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))bis(1-phenylethanone), 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]bis(1-phenylethanone)
| Molecular Formula | C32H30N6O2S3 |
|---|---|
| Molecular Weight | 626.16 g/mol |
| LogP | 7.0877 |
| Topological Polar Surface Area | 94.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 626.15924 |
| Heavy Atoms | 43 |
| Complexity | 1989.9575 |
Chemical Identifiers
| CAS Number | 672264-92-5 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NN=C(N4C5=NN=C(N35)SCC(=O)C6=CC=CC=C6)SCC(=O)C7=CC=CC=C7 |
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))bis(1-phenylethanone) (CAS 672264-92-5), with molecular formula C32H30N6O2S3 and molecular weight 626.16 g/mol. IUPAC: 2-[(16-tert-butyl-8-phenacylsulfanyl-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]-1-phenylethanone.
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))bis(1-phenylethanone)
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))bis(1-phenylethanone)
The XLogP value of 7.0877 indicates that 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))bis(1-phenylethanone) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.52 Ų falls within the moderate polarity range, balancing permeability and solubility 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))bis(1-phenylethanone). 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))bis(1-phenylethanone) has 0 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))bis(1-phenylethanone)?
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))bis(1-phenylethanone) is 672264-92-5.
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))bis(1-phenylethanone)?
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))bis(1-phenylethanone) is C32H30N6O2S3.
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))bis(1-phenylethanone)?
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))bis(1-phenylethanone) is 626.16 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))bis(1-phenylethanone)?
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))bis(1-phenylethanone) 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))bis(1-phenylethanone)?
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))bis(1-phenylethanone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.