![N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide structure](/static/products/850/850652-31-2.png)
N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide
TL;DR: N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide (CAS 850652-31-2) is a chemical compound with molecular formula C21H19N5O4S and molecular weight 437.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
Also Known As: N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide, N-(1,3-benzodioxol-5-yl)-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
| Molecular Formula | C21H19N5O4S |
|---|---|
| Molecular Weight | 437.12 g/mol |
| LogP | 2.9137 |
| Topological Polar Surface Area | 99.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.11578 |
| Heavy Atoms | 31 |
| Complexity | 1363.3938 |
Chemical Identifiers
| CAS Number | 850652-31-2 |
|---|---|
| SMILES | CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)NC4=CC5=C(C=C4)OCO5 |
Product Overview
N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide (CAS 850652-31-2), with molecular formula C21H19N5O4S and molecular weight 437.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide
Property Insights of N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide
The XLogP value of 2.9137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide. The TPSA of 99.75 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)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 N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide?
The CAS number of N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide is 850652-31-2.
What is the molecular formula of N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide?
The molecular formula of N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide is C21H19N5O4S.
What is the molecular weight of N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide?
The molecular weight of N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide is 437.12 g/mol.
Where can I buy N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide?
You can request a quote for N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2H-1,3-benzodioxol-5-yl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.