![6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine structure](/static/products/3537/353774-05-7.webp)
6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
TL;DR: 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine (CAS 353774-05-7) is a chemical compound with molecular formula C21H21BrN4O3S and molecular weight 488.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-BROMO-2-ETHOXY-5-[3-(ETHYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL]PHENYL METHYL ETHER
| Molecular Formula | C21H21BrN4O3S |
|---|---|
| Molecular Weight | 488.05 g/mol |
| LogP | 5.3235 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.05176 |
| Heavy Atoms | 30 |
| Complexity | 1066.4166 |
Chemical Identifiers
| CAS Number | 353774-05-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1Br)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC)OC |
Product Overview
6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine (CAS 353774-05-7), with molecular formula C21H21BrN4O3S and molecular weight 488.05 g/mol. IUPAC: 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Property Insights of 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
The XLogP value of 5.3235 indicates that 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine. Following Lipinski's Rule of Five, 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The CAS number of 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine is 353774-05-7.
What is the molecular formula of 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The molecular formula of 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine is C21H21BrN4O3S.
What is the molecular weight of 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The molecular weight of 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine is 488.05 g/mol.
Where can I buy 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
You can request a quote for 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
Yes, KEHONG BIO provides custom synthesis services for 6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.