![ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate structure](/static/products/844/844453-94-7.png)
ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate
TL;DR: ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate (CAS 844453-94-7) is a chemical compound with molecular formula C26H30N4O4S and molecular weight 494.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[11-oxo-17-(2-oxopentyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclopentane]-13-yl]sulfanylacetate
Also Known As: ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate, ethyl 2-((7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl)thio)acetate
| Molecular Formula | C26H30N4O4S |
|---|---|
| Molecular Weight | 494.20 g/mol |
| LogP | 3.9503 |
| Topological Polar Surface Area | 95.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.1988 |
| Heavy Atoms | 35 |
| Complexity | 1353.3711 |
Chemical Identifiers
| CAS Number | 844453-94-7 |
|---|---|
| SMILES | CCCC(=O)CN1C2=C(C(=O)N3C1=NN=C3SCC(=O)OCC)C4(CCCC4)CC5=CC=CC=C52 |
Product Overview
ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate (CAS 844453-94-7), with molecular formula C26H30N4O4S and molecular weight 494.20 g/mol. IUPAC: ethyl 2-[11-oxo-17-(2-oxopentyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclopentane]-13-yl]sulfanylacetate.
Chemical Property Profile of ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate
Property Insights of ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate
The XLogP value of 3.9503 indicates that ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate has 0 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 ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate?
The CAS number of ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate is 844453-94-7.
What is the molecular formula of ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate?
The molecular formula of ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate is C26H30N4O4S.
What is the molecular weight of ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate?
The molecular weight of ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate is 494.20 g/mol.
Where can I buy ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate?
You can request a quote for ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-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 {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl {[7-oxo-12-(2-oxopentyl)-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.