TL;DR: (S)-butyl 2-amino-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate (CAS 1212169-25-9) is a chemical compound with molecular formula C23H26N2O5 and molecular weight 410.18417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl (3S)-2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate
Also Known As: (S)-butyl 2-amino-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate, butyl (3S)-2'-amino-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carboxylate
| Molecular Formula | C23H26N2O5 |
| Molecular Weight | 410.18417 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.18417 Da |
| Heavy Atoms | 30 |
| Complexity | 856.0 |
| SMILES | CCCCOC(=O)C1=C(OC2=C([C@@]13C4=CC=CC=C4NC3=O)C(=O)CC(C2)(C)C)N |
| InChIKey | OTQWJCGXPCYAHK-QHCPKHFHSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-butyl 2-amino-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-butyl 2-amino-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate. Following Lipinski's Rule of Five, (S)-butyl 2-amino-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate has 2 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)-butyl 2-amino-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate is 1212169-25-9.
The molecular formula of (S)-butyl 2-amino-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate is C23H26N2O5.
The molecular weight of (S)-butyl 2-amino-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate is 410.18417 g/mol.
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