![N,N-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline structure](/static/products/6814/681458-55-9.webp)
N,N-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
TL;DR: N,N-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline (CAS 681458-55-9) is a chemical compound with molecular formula C18H19N5OS and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Also Known As: N,N-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline, N,N-dimethyl-4-(3-(phenoxymethyl)-5,6-dihydro[1,2,4]triazolo
| Molecular Formula | C18H19N5OS |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 3.2711 |
| Topological Polar Surface Area | 55.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.13104 |
| Heavy Atoms | 25 |
| Complexity | 847.6628 |
Chemical Identifiers
| CAS Number | 681458-55-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2NN3C(=NN=C3S2)COC4=CC=CC=C4 |
Product Overview
N,N-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline (CAS 681458-55-9), with molecular formula C18H19N5OS and molecular weight 353.13 g/mol. IUPAC: N,N-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline.
Chemical Property Profile of N,N-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Property Insights of N,N-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
The XLogP value of 3.2711 indicates that N,N-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[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 55.21 Ų, N,N-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[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-(phenoxymethyl)-5,6-dihydro-[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-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline?
The CAS number of N,N-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline is 681458-55-9.
What is the molecular formula of N,N-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline?
The molecular formula of N,N-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline is C18H19N5OS.
What is the molecular weight of N,N-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline?
The molecular weight of N,N-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline is 353.13 g/mol.
Where can I buy N,N-dimethyl-4-[3-(phenoxymethyl)-5,6-dihydro-[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-(phenoxymethyl)-5,6-dihydro-[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-(phenoxymethyl)-5,6-dihydro-[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-(phenoxymethyl)-5,6-dihydro-[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.