![6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one structure](/static/products/7841/784184-03-8.webp)
6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
TL;DR: 6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS 784184-03-8) is a chemical compound with molecular formula C18H14N4O3S and molecular weight 366.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
Also Known As: 6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one, 6-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
| Molecular Formula | C18H14N4O3S |
|---|---|
| Molecular Weight | 366.08 g/mol |
| LogP | 2.5732 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.07867 |
| Heavy Atoms | 26 |
| Complexity | 971.5774 |
Chemical Identifiers
| CAS Number | 784184-03-8 |
|---|---|
| SMILES | C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=CN3C4=CC=CC=C4 |
Product Overview
6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS 784184-03-8), with molecular formula C18H14N4O3S and molecular weight 366.08 g/mol. IUPAC: 6-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
Property Insights of 6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
The XLogP value of 2.5732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one. Following Lipinski's Rule of Five, 6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one has 1 hydrogen bond donor(s) and 6 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-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The CAS number of 6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one is 784184-03-8.
What is the molecular formula of 6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The molecular formula of 6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one is C18H14N4O3S.
What is the molecular weight of 6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The molecular weight of 6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one is 366.08 g/mol.
Where can I buy 6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one?
You can request a quote for 6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-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-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-{2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.