![4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline structure](/static/products/3139/313982-34-2.webp)
4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline
TL;DR: 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline (CAS 313982-34-2) is a chemical compound with molecular formula C20H21N5OS and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline
Also Known As: 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline, 4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-dimethylaniline, N-{4-[3-(ETHYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL]PHENYL}-N,N-DIMETHYLAMINE
| Molecular Formula | C20H21N5OS |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 4.2197 |
| Topological Polar Surface Area | 63.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.14667 |
| Heavy Atoms | 27 |
| Complexity | 945.35706 |
Chemical Identifiers
| CAS Number | 313982-34-2 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(C=C4)N(C)C)N=N1 |
Product Overview
4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline (CAS 313982-34-2), with molecular formula C20H21N5OS and molecular weight 379.15 g/mol. IUPAC: 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline.
Chemical Property Profile of 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline
Property Insights of 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline
The XLogP value of 4.2197 indicates that 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline. Following Lipinski's Rule of Five, 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline has 1 hydrogen bond donor(s) and 7 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 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline?
The CAS number of 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline is 313982-34-2.
What is the molecular formula of 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline?
The molecular formula of 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline is C20H21N5OS.
What is the molecular weight of 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline?
The molecular weight of 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline is 379.15 g/mol.
Where can I buy 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline?
You can request a quote for 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N,N-dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.