![3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline structure](/static/products/874/874591-57-8.png)
3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
TL;DR: 3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline (CAS 874591-57-8) is a chemical compound with molecular formula C11H11N5S and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
Also Known As: 3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline, 3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazol-6-yl)-phenylamine, 1234AF, BAS 13015481, BB 0244883
| Molecular Formula | C11H11N5S |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 1.9974 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.07352 |
| Heavy Atoms | 17 |
| Complexity | 669.3652 |
Chemical Identifiers
| CAS Number | 874591-57-8 |
|---|---|
| SMILES | CCC1=NN=C2N1N=C(S2)C3=CC(=CC=C3)N |
Product Overview
3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline (CAS 874591-57-8), with molecular formula C11H11N5S and molecular weight 245.07 g/mol. IUPAC: 3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline.
Chemical Property Profile of 3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
Property Insights of 3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
The XLogP value of 1.9974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline. Following Lipinski's Rule of Five, 3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline 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 3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline?
The CAS number of 3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline is 874591-57-8.
What is the molecular formula of 3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline?
The molecular formula of 3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline is C11H11N5S.
What is the molecular weight of 3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline?
The molecular weight of 3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline is 245.07 g/mol.
Where can I buy 3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline?
You can request a quote for 3-(3-Ethyl-[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 3-(3-Ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Ethyl-[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.