![2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene structure](/static/products/716/716331-56-5.png)
2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene
TL;DR: 2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene (CAS 716331-56-5) is a chemical compound with molecular formula C14H12N6OS and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene, 5-[6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methyl-1H-pyrazole, 6-(2-methoxyphenyl)-3-(3-methyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(2-methoxyphenyl)-3-(3-methyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(2-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C14H12N6OS |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 2.55992 |
| Topological Polar Surface Area | 80.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.0793 |
| Heavy Atoms | 22 |
| Complexity | 953.22253 |
Chemical Identifiers
| CAS Number | 716331-56-5 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NN=C3N2N=C(S3)C4=CC=CC=C4OC |
Product Overview
2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene (CAS 716331-56-5), with molecular formula C14H12N6OS and molecular weight 312.08 g/mol. IUPAC: 6-(2-methoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene
Property Insights of 2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene
The XLogP value of 2.55992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene. The TPSA of 80.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene. Following Lipinski's Rule of Five, 2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene has 1 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-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene?
The CAS number of 2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene is 716331-56-5.
What is the molecular formula of 2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene?
The molecular formula of 2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene is C14H12N6OS.
What is the molecular weight of 2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene?
The molecular weight of 2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene is 312.08 g/mol.
Where can I buy 2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene?
You can request a quote for 2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 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-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxy-1-[3-(3-methylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin- 6-yl)]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.