![2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine structure](/static/products/877/877805-24-8.png)
2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
TL;DR: 2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 877805-24-8) is a chemical compound with molecular formula C23H23N5S3 and molecular weight 465.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-13-tert-butyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9-tert-butyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C23H23N5S3 |
|---|---|
| Molecular Weight | 465.11 g/mol |
| LogP | 6.392 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 465.11157 |
| Heavy Atoms | 31 |
| Complexity | 1389.0831 |
Chemical Identifiers
| CAS Number | 877805-24-8 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CSC5=NC6=CC=CC=C6S5 |
Product Overview
2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 877805-24-8), with molecular formula C23H23N5S3 and molecular weight 465.11 g/mol. IUPAC: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-13-tert-butyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of 2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Property Insights of 2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
The XLogP value of 6.392 indicates that 2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, 2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The CAS number of 2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 877805-24-8.
What is the molecular formula of 2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular formula of 2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is C23H23N5S3.
What is the molecular weight of 2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular weight of 2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 465.11 g/mol.
Where can I buy 2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
You can request a quote for 2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-((benzo[d]thiazol-2-ylthio)methyl)-9-(tert-butyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.