![2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene structure](/static/products/850/850158-89-3.png)
2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene
TL;DR: 2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene (CAS 850158-89-3) is a chemical compound with molecular formula C16H16N6O3S and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-methyl-1H-pyrazol-3-yl)-6-(2,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene, 3-(3-methyl-1H-pyrazol-5-yl)-6-(2,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(5-methyl-1H-pyrazol-3-yl)-6-(2,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(5-methyl-1H-pyrazol-3-yl)-6-(2,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-methyl-5-[6-(2,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1H-pyrazole
| Molecular Formula | C16H16N6O3S |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 2.57712 |
| Topological Polar Surface Area | 99.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.10046 |
| Heavy Atoms | 26 |
| Complexity | 1083.2299 |
Chemical Identifiers
| CAS Number | 850158-89-3 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NN=C3N2N=C(S3)C4=CC(=C(C=C4OC)OC)OC |
Product Overview
2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene (CAS 850158-89-3), with molecular formula C16H16N6O3S and molecular weight 372.10 g/mol. IUPAC: 3-(5-methyl-1H-pyrazol-3-yl)-6-(2,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene
Property Insights of 2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene
The XLogP value of 2.57712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene. The TPSA of 99.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene. Following Lipinski's Rule of Five, 2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene has 1 hydrogen bond donor(s) and 8 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 2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene?
The CAS number of 2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene is 850158-89-3.
What is the molecular formula of 2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene?
The molecular formula of 2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene is C16H16N6O3S.
What is the molecular weight of 2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene?
The molecular weight of 2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene is 372.10 g/mol.
Where can I buy 2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene?
You can request a quote for 2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-trimethoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadi azolin-6-yl)]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.