![dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine structure](/static/products/716/716334-87-1.png)
dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine
TL;DR: dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine (CAS 716334-87-1) is a chemical compound with molecular formula C20H17N7S and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-[3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Also Known As: dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine, N,N-dimethyl-4-(3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline, N,N-dimethyl-4-[3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline, N,N-dimethyl-4-[3-(3-phenyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
| Molecular Formula | C20H17N7S |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 3.9759 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.12662 |
| Heavy Atoms | 28 |
| Complexity | 1232.8033 |
Chemical Identifiers
| CAS Number | 716334-87-1 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=CC(=NN4)C5=CC=CC=C5 |
Product Overview
dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine (CAS 716334-87-1), with molecular formula C20H17N7S and molecular weight 387.13 g/mol. IUPAC: N,N-dimethyl-4-[3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline.
Chemical Property Profile of dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine
Property Insights of dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine
The XLogP value of 3.9759 indicates that dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine. Following Lipinski's Rule of Five, dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine 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 dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine?
The CAS number of dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine is 716334-87-1.
What is the molecular formula of dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine?
The molecular formula of dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine is C20H17N7S.
What is the molecular weight of dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine?
The molecular weight of dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine is 387.13 g/mol.
Where can I buy dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine?
You can request a quote for dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine?
Yes, KEHONG BIO provides custom synthesis services for dimethyl{4-[3-(3-phenylpyrazol-5-yl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6 -yl)]phenyl}amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.