![ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate structure](/static/products/847/847858-19-9.png)
ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate
TL;DR: ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate (CAS 847858-19-9) is a chemical compound with molecular formula C28H30N4O3S and molecular weight 502.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(12-benzyl-9,9-diethyl-11-oxo-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaen-16-yl)sulfanyl]acetate
Also Known As: ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate, ethyl 2-((4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio)acetate
| Molecular Formula | C28H30N4O3S |
|---|---|
| Molecular Weight | 502.20 g/mol |
| LogP | 4.8754 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.20386 |
| Heavy Atoms | 36 |
| Complexity | 1471.6791 |
Chemical Identifiers
| CAS Number | 847858-19-9 |
|---|---|
| SMILES | CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C4=NN=C(N34)SCC(=O)OCC)CC5=CC=CC=C5)CC |
Product Overview
ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate (CAS 847858-19-9), with molecular formula C28H30N4O3S and molecular weight 502.20 g/mol. IUPAC: ethyl 2-[(12-benzyl-9,9-diethyl-11-oxo-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaen-16-yl)sulfanyl]acetate.
Chemical Property Profile of ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate
Property Insights of ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate
The XLogP value of 4.8754 indicates that ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate?
The CAS number of ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate is 847858-19-9.
What is the molecular formula of ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate?
The molecular formula of ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate is C28H30N4O3S.
What is the molecular weight of ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate?
The molecular weight of ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate is 502.20 g/mol.
Where can I buy ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate?
You can request a quote for ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl [(4-benzyl-6,6-diethyl-5-oxo-4,5,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.