![4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER structure](/static/products/877/877781-79-8.png)
4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER
TL;DR: 4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER (CAS 877781-79-8) is a chemical compound with molecular formula C23H26N4OS and molecular weight 406.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-tert-butyl-4-[(4-methoxyphenyl)methyl]-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: 4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER, 9-(tert-butyl)-2-(4-methoxybenzyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 9-tert-butyl-2-(4-methoxybenzyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C23H26N4OS |
|---|---|
| Molecular Weight | 406.18 g/mol |
| LogP | 5.0894 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.18274 |
| Heavy Atoms | 29 |
| Complexity | 1183.75 |
Chemical Identifiers
| CAS Number | 877781-79-8 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CC5=CC=C(C=C5)OC |
Product Overview
4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER (CAS 877781-79-8), with molecular formula C23H26N4OS and molecular weight 406.18 g/mol. IUPAC: 13-tert-butyl-4-[(4-methoxyphenyl)methyl]-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 4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER
Property Insights of 4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER
The XLogP value of 5.0894 indicates that 4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.31 Ų, 4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER?
The CAS number of 4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER is 877781-79-8.
What is the molecular formula of 4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER?
The molecular formula of 4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER is C23H26N4OS.
What is the molecular weight of 4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER?
The molecular weight of 4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER is 406.18 g/mol.
Where can I buy 4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER?
You can request a quote for 4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER?
Yes, KEHONG BIO provides custom synthesis services for 4-{[9-(TERT-BUTYL)-8,9,10,11-TETRAHYDRO[1]BENZOTHIENO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-2-YL]METHYL}PHENYL METHYL ETHER and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.