TL;DR: (S)-ethyl 2-amino-7,7-dimethyl-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate (CAS 1212106-19-8) is a chemical compound with molecular formula C24H24N2O5 and molecular weight 420.16852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (4S)-2-amino-7,7-dimethyl-2',5-dioxo-1'-prop-2-ynylspiro[6,8-dihydrochromene-4,3'-indole]-3-carboxylate
Also Known As: (S)-ethyl 2-amino-7,7-dimethyl-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate, ethyl (4S)-2-amino-7,7-dimethyl-2',5-dioxo-1'-prop-2-ynylspiro[6,8-dihydrochromene-4,3'-indole]-3-carboxylate
| Molecular Formula | C24H24N2O5 |
| Molecular Weight | 420.16852 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 98.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.16852 Da |
| Heavy Atoms | 31 |
| Complexity | 966.0 |
| SMILES | CCOC(=O)C1=C(OC2=C([C@@]13C4=CC=CC=C4N(C3=O)CC#C)C(=O)CC(C2)(C)C)N |
| InChIKey | MOUOENCRJFSTGP-DEOSSOPVSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-ethyl 2-amino-7,7-dimethyl-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-ethyl 2-amino-7,7-dimethyl-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate. Following Lipinski's Rule of Five, (S)-ethyl 2-amino-7,7-dimethyl-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-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 (S)-ethyl 2-amino-7,7-dimethyl-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate is 1212106-19-8.
The molecular formula of (S)-ethyl 2-amino-7,7-dimethyl-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate is C24H24N2O5.
The molecular weight of (S)-ethyl 2-amino-7,7-dimethyl-2',5-dioxo-1'-(prop-2-yn-1-yl)-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate is 420.16852 g/mol.
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