![2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide structure](/static/products/896/896325-79-4.png)
2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
TL;DR: 2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CAS 896325-79-4) is a chemical compound with molecular formula C17H13ClN4O4S and molecular weight 404.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Also Known As: 2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide, 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide, 2-((7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide, 2-(7-chloranyl-4-oxidanylidene-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide, 2-[(7-chloro-4-keto-pyrido[1,2-a][1,3,5]triazin-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
| Molecular Formula | C17H13ClN4O4S |
|---|---|
| Molecular Weight | 404.03 g/mol |
| LogP | 2.2449 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.0346 |
| Heavy Atoms | 27 |
| Complexity | 1088.2068 |
Chemical Identifiers
| CAS Number | 896325-79-4 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC(=O)N4C=C(C=CC4=N3)Cl |
Product Overview
2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CAS 896325-79-4), with molecular formula C17H13ClN4O4S and molecular weight 404.03 g/mol. IUPAC: 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
Chemical Property Profile of 2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Property Insights of 2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
The XLogP value of 2.2449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide. Following Lipinski's Rule of Five, 2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide 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 2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The CAS number of 2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is 896325-79-4.
What is the molecular formula of 2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The molecular formula of 2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is C17H13ClN4O4S.
What is the molecular weight of 2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The molecular weight of 2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is 404.03 g/mol.
Where can I buy 2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
You can request a quote for 2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.