![3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine structure](/static/products/3506/350613-27-3.webp)
3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
TL;DR: 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine (CAS 350613-27-3) is a chemical compound with molecular formula C22H17N5O4S and molecular weight 447.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(ethylsulfanyl)-6-(5-{4-nitrophenyl}-2-furyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(ETHYLSULFANYL)-6-[5-(4-NITROPHENYL)-2-FURYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE
| Molecular Formula | C22H17N5O4S |
|---|---|
| Molecular Weight | 447.10 g/mol |
| LogP | 5.3219 |
| Topological Polar Surface Area | 116.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.10013 |
| Heavy Atoms | 32 |
| Complexity | 1291.7382 |
Chemical Identifiers
| CAS Number | 350613-27-3 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-])N=N1 |
Product Overview
3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine (CAS 350613-27-3), with molecular formula C22H17N5O4S and molecular weight 447.10 g/mol. IUPAC: 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Property Insights of 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
The XLogP value of 5.3219 indicates that 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-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 116.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine. Following Lipinski's Rule of Five, 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The CAS number of 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine is 350613-27-3.
What is the molecular formula of 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The molecular formula of 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine is C22H17N5O4S.
What is the molecular weight of 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
The molecular weight of 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine is 447.10 g/mol.
Where can I buy 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
You can request a quote for 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-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 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine?
Yes, KEHONG BIO provides custom synthesis services for 3-ethylsulfanyl-6-[5-(4-nitrophenyl)furan-2-yl]-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.