![9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE structure](/static/products/877/877800-10-7.png)
9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE
TL;DR: 9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE (CAS 877800-10-7) is a chemical compound with molecular formula C20H21N5S and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-tert-butyl-4-pyridin-3-yl-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: 9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE, 9-(tert-butyl)-2-(pyridin-3-yl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 9-tert-butyl-2-(pyridin-3-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C20H21N5S |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 4.552 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 363.15176 |
| Heavy Atoms | 26 |
| Complexity | 1104.0896 |
Chemical Identifiers
| CAS Number | 877800-10-7 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C5=CN=CC=C5 |
Product Overview
9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE (CAS 877800-10-7), with molecular formula C20H21N5S and molecular weight 363.15 g/mol. IUPAC: 13-tert-butyl-4-pyridin-3-yl-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 9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE
Property Insights of 9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE
The XLogP value of 4.552 indicates that 9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[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, 9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[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, 9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE has 0 hydrogen bond donor(s) and 5 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 9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE?
The CAS number of 9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE is 877800-10-7.
What is the molecular formula of 9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE?
The molecular formula of 9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE is C20H21N5S.
What is the molecular weight of 9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE?
The molecular weight of 9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE is 363.15 g/mol.
Where can I buy 9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE?
You can request a quote for 9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[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 9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE?
Yes, KEHONG BIO provides custom synthesis services for 9-(TERT-BUTYL)-2-(3-PYRIDYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[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.