TL;DR: (R)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxo-1-(prop-2-yn-1-yl)spiro[indoline-3,4'-pyran]-5'-carboxylate (CAS 1212387-83-1) is a chemical compound with molecular formula C19H15N3O4 and molecular weight 349.10626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (3R)-6'-amino-5'-cyano-2'-methyl-2-oxo-1-prop-2-ynylspiro[indole-3,4'-pyran]-3'-carboxylate
Also Known As: (R)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxo-1-(prop-2-yn-1-yl)spiro[indoline-3,4'-pyran]-5'-carboxylate, methyl (3R)-6'-amino-5'-cyano-2'-methyl-2-oxo-1-prop-2-ynylspiro[indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C19H15N3O4 |
| Molecular Weight | 349.10626 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.10626 Da |
| Heavy Atoms | 26 |
| Complexity | 837.0 |
| SMILES | CC1=C([C@@]2(C3=CC=CC=C3N(C2=O)CC#C)C(=C(O1)N)C#N)C(=O)OC |
| InChIKey | PQGWJQRLYULDIO-LJQANCHMSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxo-1-(prop-2-yn-1-yl)spiro[indoline-3,4'-pyran]-5'-carboxylate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxo-1-(prop-2-yn-1-yl)spiro[indoline-3,4'-pyran]-5'-carboxylate. Following Lipinski's Rule of Five, (R)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxo-1-(prop-2-yn-1-yl)spiro[indoline-3,4'-pyran]-5'-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (R)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxo-1-(prop-2-yn-1-yl)spiro[indoline-3,4'-pyran]-5'-carboxylate is 1212387-83-1.
The molecular formula of (R)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxo-1-(prop-2-yn-1-yl)spiro[indoline-3,4'-pyran]-5'-carboxylate is C19H15N3O4.
The molecular weight of (R)-methyl 2'-amino-3'-cyano-6'-methyl-2-oxo-1-(prop-2-yn-1-yl)spiro[indoline-3,4'-pyran]-5'-carboxylate is 349.10626 g/mol.
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