![2-((benzo[d]thiazol-2-ylthio)methyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine structure](/static/products/3758/375838-05-4.webp)
2-((benzo[d]thiazol-2-ylthio)methyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
TL;DR: 2-((benzo[d]thiazol-2-ylthio)methyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 375838-05-4) is a chemical compound with molecular formula C20H17N5S3 and molecular weight 423.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-(1,3-benzothiazol-2-ylsulfanylmethyl)-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaene
Also Known As: 2-((benzo[d]thiazol-2-ylthio)methyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 1,3-BENZOTHIAZOL-2-YL (9,10,11,12-TETRAHYDRO-8H-CYCLOHEPTA[4,5]THIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YLMETHYL) SULFIDE, 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C20H17N5S3 |
|---|---|
| Molecular Weight | 423.06 g/mol |
| LogP | 5.5099 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.0646 |
| Heavy Atoms | 28 |
| Complexity | 1282.8849 |
Chemical Identifiers
| CAS Number | 375838-05-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C4=NC(=NN4C=N3)CSC5=NC6=CC=CC=C6S5 |
Product Overview
2-((benzo[d]thiazol-2-ylthio)methyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 375838-05-4), with molecular formula C20H17N5S3 and molecular weight 423.06 g/mol. IUPAC: 15-(1,3-benzothiazol-2-ylsulfanylmethyl)-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaene.
Chemical Property Profile of 2-((benzo[d]thiazol-2-ylthio)methyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Property Insights of 2-((benzo[d]thiazol-2-ylthio)methyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
The XLogP value of 5.5099 indicates that 2-((benzo[d]thiazol-2-ylthio)methyl)-9,10,11,12-tetrahydro-8H-cyclohepta[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)-9,10,11,12-tetrahydro-8H-cyclohepta[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)-9,10,11,12-tetrahydro-8H-cyclohepta[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)-9,10,11,12-tetrahydro-8H-cyclohepta[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)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 375838-05-4.
What is the molecular formula of 2-((benzo[d]thiazol-2-ylthio)methyl)-9,10,11,12-tetrahydro-8H-cyclohepta[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)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is C20H17N5S3.
What is the molecular weight of 2-((benzo[d]thiazol-2-ylthio)methyl)-9,10,11,12-tetrahydro-8H-cyclohepta[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)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 423.06 g/mol.
Where can I buy 2-((benzo[d]thiazol-2-ylthio)methyl)-9,10,11,12-tetrahydro-8H-cyclohepta[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)-9,10,11,12-tetrahydro-8H-cyclohepta[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)-9,10,11,12-tetrahydro-8H-cyclohepta[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)-9,10,11,12-tetrahydro-8H-cyclohepta[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.