TL;DR: (S)-butyl 2-amino-1',7,7-trimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate (CAS 1164532-40-4) is a chemical compound with molecular formula C24H28N2O5 and molecular weight 424.19983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl (4S)-2-amino-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carboxylate
Also Known As: (S)-butyl 2-amino-1',7,7-trimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate, butyl (4S)-2-amino-1',7,7-trimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carboxylate
| Molecular Formula | C24H28N2O5 |
| Molecular Weight | 424.19983 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 98.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.19983 Da |
| Heavy Atoms | 31 |
| Complexity | 886.0 |
| SMILES | CCCCOC(=O)C1=C(OC2=C([C@@]13C4=CC=CC=C4N(C3=O)C)C(=O)CC(C2)(C)C)N |
| InChIKey | OGCRDKWOKYUQCM-DEOSSOPVSA-N |
The XLogP value of 3.0 indicates that (S)-butyl 2-amino-1',7,7-trimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-butyl 2-amino-1',7,7-trimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate. Following Lipinski's Rule of Five, (S)-butyl 2-amino-1',7,7-trimethyl-2',5-dioxo-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)-butyl 2-amino-1',7,7-trimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate is 1164532-40-4.
The molecular formula of (S)-butyl 2-amino-1',7,7-trimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate is C24H28N2O5.
The molecular weight of (S)-butyl 2-amino-1',7,7-trimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carboxylate is 424.19983 g/mol.
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