TL;DR: methyl 6-oxo-6-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)hexanoate (CAS 1212302-32-3) is a chemical compound with molecular formula C17H24N2O3 and molecular weight 304.17868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-oxo-6-[(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]hexanoate
Also Known As: methyl 6-oxo-6-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)hexanoate, methyl 6-oxo-6-[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]hexanoate
| Molecular Formula | C17H24N2O3 |
| Molecular Weight | 304.17868 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.17868 Da |
| Heavy Atoms | 22 |
| Complexity | 477.0 |
| SMILES | CC1=NN(C2=C1[C@H]3[C@@H](C2)C3(C)C)C(=O)CCCCC(=O)OC |
| InChIKey | IRGCQFZBTVVNSX-BDJLRTHQSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6-oxo-6-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)hexanoate. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-oxo-6-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)hexanoate. Following Lipinski's Rule of Five, methyl 6-oxo-6-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)hexanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl 6-oxo-6-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)hexanoate is 1212302-32-3.
The molecular formula of methyl 6-oxo-6-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)hexanoate is C17H24N2O3.
The molecular weight of methyl 6-oxo-6-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)hexanoate is 304.17868 g/mol.
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