![9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/4425/442571-00-8.webp)
9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 442571-00-8) is a chemical compound with molecular formula C19H18N4S and molecular weight 334.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-5-(4-methylphenyl)-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, AS-871/41027444, 13-methyl-5-(4-methylphenyl)-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene, 9-methyl-3-(4-methylphenyl)-4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2, 4-triazolo[4,3-e]pyrimidine
| Molecular Formula | C19H18N4S |
|---|---|
| Molecular Weight | 334.13 g/mol |
| LogP | 4.43922 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.1252 |
| Heavy Atoms | 24 |
| Complexity | 1058.5483 |
Chemical Identifiers
| CAS Number | 442571-00-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C4=NN=C(N4C=N3)C5=CC=C(C=C5)C |
Product Overview
9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 442571-00-8), with molecular formula C19H18N4S and molecular weight 334.13 g/mol. IUPAC: 13-methyl-5-(4-methylphenyl)-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of 9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 4.43922 indicates that 9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, 9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine has 0 hydrogen bond donor(s) and 4 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-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of 9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 442571-00-8.
What is the molecular formula of 9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of 9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is C19H18N4S.
What is the molecular weight of 9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of 9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 334.13 g/mol.
Where can I buy 9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
You can request a quote for 9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-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-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 9-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.