![(10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone structure](/static/products/3547/354780-72-6.webp)
(10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone
TL;DR: (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone (CAS 354780-72-6) is a chemical compound with molecular formula C21H19BrN4O2S and molecular weight 470.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone
Also Known As: (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone, [10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](phenyl)methanone
| Molecular Formula | C21H19BrN4O2S |
|---|---|
| Molecular Weight | 470.04 g/mol |
| LogP | 5.2066 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.0412 |
| Heavy Atoms | 29 |
| Complexity | 1032.4446 |
Chemical Identifiers
| CAS Number | 354780-72-6 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C(=O)C4=CC=CC=C4)N=N1 |
Product Overview
(10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone (CAS 354780-72-6), with molecular formula C21H19BrN4O2S and molecular weight 470.04 g/mol. IUPAC: (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone.
Chemical Property Profile of (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone
Property Insights of (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone
The XLogP value of 5.2066 indicates that (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone. Following Lipinski's Rule of Five, (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone 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 (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone?
The CAS number of (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone is 354780-72-6.
What is the molecular formula of (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone?
The molecular formula of (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone is C21H19BrN4O2S.
What is the molecular weight of (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone?
The molecular weight of (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone is 470.04 g/mol.
Where can I buy (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone?
You can request a quote for (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone?
Yes, KEHONG BIO provides custom synthesis services for (10-bromo-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-phenylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.