![6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one structure](/static/products/452/452290-09-4.png)
6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
TL;DR: 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one (CAS 452290-09-4) is a chemical compound with molecular formula C25H18N4O3S and molecular weight 454.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
Also Known As: 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one, 6-[2-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
| Molecular Formula | C25H18N4O3S |
|---|---|
| Molecular Weight | 454.11 g/mol |
| LogP | 4.5115 |
| Topological Polar Surface Area | 94.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.10995 |
| Heavy Atoms | 33 |
| Complexity | 1330.3254 |
Chemical Identifiers
| CAS Number | 452290-09-4 |
|---|---|
| SMILES | C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one (CAS 452290-09-4), with molecular formula C25H18N4O3S and molecular weight 454.11 g/mol. IUPAC: 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
Property Insights of 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
The XLogP value of 4.5115 indicates that 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one. Following Lipinski's Rule of Five, 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one?
The CAS number of 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one is 452290-09-4.
What is the molecular formula of 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one?
The molecular formula of 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one is C25H18N4O3S.
What is the molecular weight of 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one?
The molecular weight of 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one is 454.11 g/mol.
Where can I buy 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one?
You can request a quote for 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.