![2-(3,4-dimethoxybenzyl)-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine structure](/static/products/902/902016-45-9.png)
2-(3,4-dimethoxybenzyl)-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
TL;DR: 2-(3,4-dimethoxybenzyl)-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 902016-45-9) is a chemical compound with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,4-dimethoxyphenyl)methyl]-13-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: 2-(3,4-dimethoxybenzyl)-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-(3,4-dimethoxybenzyl)-9-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C21H22N4O2S |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 4.0718 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.14636 |
| Heavy Atoms | 28 |
| Complexity | 1180.2937 |
Chemical Identifiers
| CAS Number | 902016-45-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CC5=CC(=C(C=C5)OC)OC |
Product Overview
2-(3,4-dimethoxybenzyl)-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 902016-45-9), with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol. IUPAC: 4-[(3,4-dimethoxyphenyl)methyl]-13-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 2-(3,4-dimethoxybenzyl)-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Property Insights of 2-(3,4-dimethoxybenzyl)-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
The XLogP value of 4.0718 indicates that 2-(3,4-dimethoxybenzyl)-9-methyl-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. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-dimethoxybenzyl)-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine. Following Lipinski's Rule of Five, 2-(3,4-dimethoxybenzyl)-9-methyl-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 6 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 2-(3,4-dimethoxybenzyl)-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The CAS number of 2-(3,4-dimethoxybenzyl)-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 902016-45-9.
What is the molecular formula of 2-(3,4-dimethoxybenzyl)-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular formula of 2-(3,4-dimethoxybenzyl)-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is C21H22N4O2S.
What is the molecular weight of 2-(3,4-dimethoxybenzyl)-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular weight of 2-(3,4-dimethoxybenzyl)-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 394.15 g/mol.
Where can I buy 2-(3,4-dimethoxybenzyl)-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
You can request a quote for 2-(3,4-dimethoxybenzyl)-9-methyl-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 2-(3,4-dimethoxybenzyl)-9-methyl-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 2-(3,4-dimethoxybenzyl)-9-methyl-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.