![6-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE structure](/static/products/4304/430459-54-4.webp)
6-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE
TL;DR: 6-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE (CAS 430459-54-4) is a chemical compound with molecular formula C24H17ClN4O3S and molecular weight 476.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: 6-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE, 6-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 6-(1,3-benzodioxol-5-yl)-3-[(4-chlorobenzyl)thio]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 6-(1,3-Benzodioxol-5-yl)-3-[[(4-chlorophenyl)methyl]thio]-6,7-dihydro-1,2,4-triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C24H17ClN4O3S |
|---|---|
| Molecular Weight | 476.07 g/mol |
| LogP | 5.7161 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.07098 |
| Heavy Atoms | 33 |
| Complexity | 1335.8506 |
Chemical Identifiers
| CAS Number | 430459-54-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC6=CC=C(C=C6)Cl |
Product Overview
6-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE (CAS 430459-54-4), with molecular formula C24H17ClN4O3S and molecular weight 476.07 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of 6-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE
Property Insights of 6-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE
The XLogP value of 5.7161 indicates that 6-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-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-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE. Following Lipinski's Rule of Five, 6-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-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-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE?
The CAS number of 6-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE is 430459-54-4.
What is the molecular formula of 6-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE?
The molecular formula of 6-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE is C24H17ClN4O3S.
What is the molecular weight of 6-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE?
The molecular weight of 6-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE is 476.07 g/mol.
Where can I buy 6-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE?
You can request a quote for 6-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-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-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE?
Yes, KEHONG BIO provides custom synthesis services for 6-(1,3-BENZODIOXOL-5-YL)-3-[(4-CHLOROBENZYL)SULFANYL]-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.