![ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate structure](/static/products/5288/5288-58-4.webp)
ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate
TL;DR: ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate (CAS 5288-58-4) is a chemical compound with molecular formula C23H22N4O5S and molecular weight 466.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate
Also Known As: ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate, Ethyl 7-amino-4',4',6'-trimethyl-2',4-dioxo-2-sulfanylidene-1,2,3,4-tetrahydro-2'H,4'H-spiro[pyrano[2,3-d]pyrimidine-5,1'-pyrrolo[3,2,1-ij]quinoline]-6-carboxylate
| Molecular Formula | C23H22N4O5S |
|---|---|
| Molecular Weight | 466.13 g/mol |
| LogP | 2.38649 |
| Topological Polar Surface Area | 130.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 466.1311 |
| Heavy Atoms | 33 |
| Complexity | 1447.4775 |
Chemical Identifiers
| CAS Number | 5288-58-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C13C4=CC=CC5=C4N(C3=O)C(C=C5C)(C)C)C(=O)NC(=S)N2)N |
Product Overview
ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate (CAS 5288-58-4), with molecular formula C23H22N4O5S and molecular weight 466.13 g/mol. IUPAC: ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate.
Chemical Property Profile of ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate
Property Insights of ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate
The XLogP value of 2.38649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate. The TPSA of 130.51 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate. Following Lipinski's Rule of Five, ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate has 3 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'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate?
The CAS number of ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate is 5288-58-4.
What is the molecular formula of ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate?
The molecular formula of ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate is C23H22N4O5S.
What is the molecular weight of ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate?
The molecular weight of ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate is 466.13 g/mol.
Where can I buy ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate?
You can request a quote for ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.