![2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid structure](/static/products/896/896076-45-2.png)
2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid
TL;DR: 2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid (CAS 896076-45-2) is a chemical compound with molecular formula C20H18N4O2S and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7,13-dimethyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)benzoic acid
Also Known As: 2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid, 2-(5,9-dimethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid
| Molecular Formula | C20H18N4O2S |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 4.13742 |
| Topological Polar Surface Area | 80.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.11505 |
| Heavy Atoms | 27 |
| Complexity | 1223.899 |
Chemical Identifiers
| CAS Number | 896076-45-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C4=NC(=NN4C(=N3)C)C5=CC=CC=C5C(=O)O |
Product Overview
2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid (CAS 896076-45-2), with molecular formula C20H18N4O2S and molecular weight 378.12 g/mol. IUPAC: 2-(7,13-dimethyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)benzoic acid.
Chemical Property Profile of 2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid
Property Insights of 2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid
The XLogP value of 4.13742 indicates that 2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid. Following Lipinski's Rule of Five, 2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid has 1 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 2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid?
The CAS number of 2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid is 896076-45-2.
What is the molecular formula of 2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid?
The molecular formula of 2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid is C20H18N4O2S.
What is the molecular weight of 2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid?
The molecular weight of 2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid is 378.12 g/mol.
Where can I buy 2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid?
You can request a quote for 2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5,9-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.