![N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline structure](/static/products/862/862486-56-4.png)
N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
TL;DR: N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline (CAS 862486-56-4) is a chemical compound with molecular formula C19H21N7S and molecular weight 379.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Also Known As: N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline, 4-(3-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-diethylaniline, diethyl-[4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl]amine, diethyl[4-(3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)(1,2,4-triazolo[3,4- b]1,3,4-thiadiazolin-6-yl))phenyl]amine
| Molecular Formula | C19H21N7S |
|---|---|
| Molecular Weight | 379.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.15793 |
| Heavy Atoms | 27 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 862486-56-4 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=NNC5=C4CCC5 |
| InChIKey | IHNSNLDESXQRAG-UHFFFAOYSA-N |
Product Overview
N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline (CAS 862486-56-4), with molecular formula C19H21N7S and molecular weight 379.16 g/mol. IUPAC: N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline.
Chemical Property Profile of N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Property Insights of N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
The XLogP value of 3.5 indicates that N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline. Following Lipinski's Rule of Five, N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline 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 N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline?
The CAS number of N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline is 862486-56-4.
What is the molecular formula of N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline?
The molecular formula of N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline is C19H21N7S.
What is the molecular weight of N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline?
The molecular weight of N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline is 379.16 g/mol.
Where can I buy N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline?
You can request a quote for N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-4-[3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.