Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carboxylic acid, 1,1',2,2',3',4'-hexahydro-7'-amino-6-fluoro-2,2',4'-trioxo-, ethyl ester
TL;DR: Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carboxylic acid, 1,1',2,2',3',4'-hexahydro-7'-amino-6-fluoro-2,2',4'-trioxo-, ethyl ester (CAS 116719-50-7) is a chemical compound with molecular formula C17H13FN4O6 and molecular weight 388.0819 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 7'-amino-6-fluoro-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate
Also Known As: Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carboxylic acid, 1,1',2,2',3',4'-hexahydro-7'-amino-6-fluoro-2,2',4'-trioxo-, ethyl ester, Ethyl 7'-amino-6-fluoro-2,2',4'-trihydroxyspiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carboxylate, ethyl 7'-amino-6-fluoro-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate
Technical Specifications
| Molecular Formula | C17H13FN4O6 |
| Molecular Weight | 388.0819 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.0819 Da |
| Heavy Atoms | 28 |
| Complexity | 868.0 |
| SMILES | CCOC(=O)C1=C(OC2=C(C13C4=C(C=C(C=C4)F)NC3=O)C(=O)NC(=O)N2)N |
| InChIKey | AVLBADXCIVOEMO-UHFFFAOYSA-N |
Chemical Property Profile of Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carboxylic acid, 1,1',2,2',3',4'-hexahydro-7'-amino-6-fluoro-2,2',4'-trioxo-, ethyl ester
Property Insights of Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carboxylic acid, 1,1',2,2',3',4'-hexahydro-7'-amino-6-fluoro-2,2',4'-trioxo-, ethyl ester
The XLogP value of -0.1 indicates that Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carboxylic acid, 1,1',2,2',3',4'-hexahydro-7'-amino-6-fluoro-2,2',4'-trioxo-, ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carboxylic acid, 1,1',2,2',3',4'-hexahydro-7'-amino-6-fluoro-2,2',4'-trioxo-, ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carboxylic acid, 1,1',2,2',3',4'-hexahydro-7'-amino-6-fluoro-2,2',4'-trioxo-, ethyl ester has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carboxylic acid, 1,1',2,2',3',4'-hexahydro-7'-amino-6-fluoro-2,2',4'-trioxo-, ethyl ester?
The CAS number of Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carboxylic acid, 1,1',2,2',3',4'-hexahydro-7'-amino-6-fluoro-2,2',4'-trioxo-, ethyl ester is 116719-50-7.
What is the molecular formula of Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carboxylic acid, 1,1',2,2',3',4'-hexahydro-7'-amino-6-fluoro-2,2',4'-trioxo-, ethyl ester?
The molecular formula of Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carboxylic acid, 1,1',2,2',3',4'-hexahydro-7'-amino-6-fluoro-2,2',4'-trioxo-, ethyl ester is C17H13FN4O6.
What is the molecular weight of Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carboxylic acid, 1,1',2,2',3',4'-hexahydro-7'-amino-6-fluoro-2,2',4'-trioxo-, ethyl ester?
The molecular weight of Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carboxylic acid, 1,1',2,2',3',4'-hexahydro-7'-amino-6-fluoro-2,2',4'-trioxo-, ethyl ester is 388.0819 g/mol.
Where can I buy Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carboxylic acid, 1,1',2,2',3',4'-hexahydro-7'-amino-6-fluoro-2,2',4'-trioxo-, ethyl ester?
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Does CoreyChem offer custom synthesis for Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carboxylic acid, 1,1',2,2',3',4'-hexahydro-7'-amino-6-fluoro-2,2',4'-trioxo-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Spiro(3H-indole-3,5'(5H)-pyrano(2,3-d)pyrimidine)-6'-carboxylic acid, 1,1',2,2',3',4'-hexahydro-7'-amino-6-fluoro-2,2',4'-trioxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.