![ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate structure](/static/products/827/827002-87-9.png)
ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate
TL;DR: ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate (CAS 827002-87-9) is a chemical compound with molecular formula C26H30N4O5S and molecular weight 510.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[13-(2-ethoxy-2-oxoethyl)sulfanyl-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-17-yl]acetate
Also Known As: ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate, ethyl {[12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl]sulfanyl}acetate
| Molecular Formula | C26H30N4O5S |
|---|---|
| Molecular Weight | 510.19 g/mol |
| LogP | 3.5343 |
| Topological Polar Surface Area | 104.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 510.1937 |
| Heavy Atoms | 36 |
| Complexity | 1372.647 |
Chemical Identifiers
| CAS Number | 827002-87-9 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C(=O)N3C1=NN=C3SCC(=O)OCC)C4(CCCCC4)CC5=CC=CC=C52 |
Product Overview
ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate (CAS 827002-87-9), with molecular formula C26H30N4O5S and molecular weight 510.19 g/mol. IUPAC: ethyl 2-[13-(2-ethoxy-2-oxoethyl)sulfanyl-11-oxospiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-17-yl]acetate.
Chemical Property Profile of ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate
Property Insights of ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate
The XLogP value of 3.5343 indicates that ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.79 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate. Following Lipinski's Rule of Five, ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate?
The CAS number of ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate is 827002-87-9.
What is the molecular formula of ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate?
The molecular formula of ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate is C26H30N4O5S.
What is the molecular weight of ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate?
The molecular weight of ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate is 510.19 g/mol.
Where can I buy ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate?
You can request a quote for ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((12-(2-ethoxy-2-oxoethyl)-7-oxo-7,12-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-9-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.