![N,N-dimethyl-4-(3-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline structure](/static/products/586/586994-40-3.png)
N,N-dimethyl-4-(3-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
TL;DR: N,N-dimethyl-4-(3-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline (CAS 586994-40-3) is a chemical compound with molecular formula C18H17N5S and molecular weight 335.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Also Known As: N,N-dimethyl-4-(3-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline, N,N-dimethyl-4-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline, N,N-dimethyl-4-[3-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline, dimethyl{4-[3-(2-methylphenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]p henyl}amine
| Molecular Formula | C18H17N5S |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 3.89422 |
| Topological Polar Surface Area | 46.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.12045 |
| Heavy Atoms | 24 |
| Complexity | 997.8613 |
Chemical Identifiers
| CAS Number | 586994-40-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN=C3N2N=C(S3)C4=CC=C(C=C4)N(C)C |
Product Overview
N,N-dimethyl-4-(3-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline (CAS 586994-40-3), with molecular formula C18H17N5S and molecular weight 335.12 g/mol. IUPAC: N,N-dimethyl-4-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline.
Chemical Property Profile of N,N-dimethyl-4-(3-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
Property Insights of N,N-dimethyl-4-(3-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
The XLogP value of 3.89422 indicates that N,N-dimethyl-4-(3-(o-tolyl)-[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. With a topological polar surface area (TPSA) of 46.32 Ų, N,N-dimethyl-4-(3-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-dimethyl-4-(3-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline has 0 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 N,N-dimethyl-4-(3-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline?
The CAS number of N,N-dimethyl-4-(3-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline is 586994-40-3.
What is the molecular formula of N,N-dimethyl-4-(3-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline?
The molecular formula of N,N-dimethyl-4-(3-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline is C18H17N5S.
What is the molecular weight of N,N-dimethyl-4-(3-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline?
The molecular weight of N,N-dimethyl-4-(3-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline is 335.12 g/mol.
Where can I buy N,N-dimethyl-4-(3-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline?
You can request a quote for N,N-dimethyl-4-(3-(o-tolyl)-[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-dimethyl-4-(3-(o-tolyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-dimethyl-4-(3-(o-tolyl)-[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.