![Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide structure](/static/products/3127/312703-29-0.webp)
Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide
TL;DR: Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide (CAS 312703-29-0) is a chemical compound with molecular formula C13H14N4OS and molecular weight 274.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfanyl-6-methyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: AB00091020-01, ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide, 3-ethylsulfanyl-6-methyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C13H14N4OS |
|---|---|
| Molecular Weight | 274.09 g/mol |
| LogP | 2.8009 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.08884 |
| Heavy Atoms | 19 |
| Complexity | 604.94714 |
Chemical Identifiers
| CAS Number | 312703-29-0 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C)N=N1 |
Product Overview
Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide (CAS 312703-29-0), with molecular formula C13H14N4OS and molecular weight 274.09 g/mol. IUPAC: 3-ethylsulfanyl-6-methyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide
Property Insights of Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide
The XLogP value of 2.8009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide. With a topological polar surface area (TPSA) of 59.93 Ų, Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide 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 Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide?
The CAS number of Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide is 312703-29-0.
What is the molecular formula of Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide?
The molecular formula of Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide is C13H14N4OS.
What is the molecular weight of Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide?
The molecular weight of Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide is 274.09 g/mol.
Where can I buy Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide?
You can request a quote for Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.