![3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine structure](/static/products/4284/428477-61-6.webp)
3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine
TL;DR: 3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine (CAS 428477-61-6) is a chemical compound with molecular formula C23H20N4O2S and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfanyl-6-(4-methoxynaphthalen-1-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: 3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine, 3-ethylsulfanyl-6-(4-methoxynaphthalen-1-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(Ethylsulfanyl)-6-(4-methoxynaphthalen-1-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(ethylthio)-6-(4-methoxy-1-naphthyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C23H20N4O2S |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 5.3155 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.1307 |
| Heavy Atoms | 30 |
| Complexity | 1230.9646 |
Chemical Identifiers
| CAS Number | 428477-61-6 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(C5=CC=CC=C45)OC)N=N1 |
Product Overview
3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine (CAS 428477-61-6), with molecular formula C23H20N4O2S and molecular weight 416.13 g/mol. IUPAC: 3-ethylsulfanyl-6-(4-methoxynaphthalen-1-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of 3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine
Property Insights of 3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine
The XLogP value of 5.3155 indicates that 3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-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 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine. Following Lipinski's Rule of Five, 3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine?
The CAS number of 3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine is 428477-61-6.
What is the molecular formula of 3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine?
The molecular formula of 3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine is C23H20N4O2S.
What is the molecular weight of 3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine?
The molecular weight of 3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine is 416.13 g/mol.
Where can I buy 3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine?
You can request a quote for 3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-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 3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Ethylthio)-6,7-dihydro-6-(4-methoxy-1-naphthalenyl)-1,2,4-triazino[5,6-d][3,1]benzoxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.