TL;DR: (S)-3'-butyl 5'-isopropyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate (CAS 1212206-20-6) is a chemical compound with molecular formula C25H30N2O8 and molecular weight 486.20023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-O'-butyl 5-O'-propan-2-yl (3S)-2'-amino-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: (S)-3'-butyl 5'-isopropyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate, 3-O'-butyl 5-O'-propan-2-yl (3S)-2'-amino-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
| Molecular Formula | C25H30N2O8 |
| Molecular Weight | 486.20023 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 486.20023 Da |
| Heavy Atoms | 35 |
| Complexity | 953.0 |
| SMILES | CCCCOC(=O)C1=C(OC(=C([C@@]12C3=CC=CC=C3N(C2=O)CC(=O)OC)C(=O)OC(C)C)C)N |
| InChIKey | YJFLEFOMTOTRMU-VWLOTQADSA-N |
The XLogP value of 3.1 indicates that (S)-3'-butyl 5'-isopropyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3'-butyl 5'-isopropyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate. Following Lipinski's Rule of Five, (S)-3'-butyl 5'-isopropyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-3'-butyl 5'-isopropyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 1212206-20-6.
The molecular formula of (S)-3'-butyl 5'-isopropyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is C25H30N2O8.
The molecular weight of (S)-3'-butyl 5'-isopropyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 486.20023 g/mol.
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