Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))-
TL;DR: Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))- (CAS 125587-37-3) is a chemical compound with molecular formula C18H21NO6 and molecular weight 347.1369 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cis-(3-nitrophenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))-, (1R)-2beta-[(E)-2-(Methoxycarbonyl)-1-propenyl]-3,3-dimethylcyclopropane-1alpha-carboxylic acid m-nitrobenzyl ester, (3-NITROPHENYL)METHYL (1R,3R)-3-[(1E)-3-METHOXY-2-METHYL-3-OXOPROP-1-EN-1-YL]-2,2-DIMETHYLCYCLOPROPANE-1-CARBOXYLATE, (3-nitrophenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate, Cyclopropanecarboxylicacid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, [1R-[1a,3b(E)]]- (9CI)
Technical Specifications
| Molecular Formula | C18H21NO6 |
| Molecular Weight | 347.1369 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.1369 Da |
| Heavy Atoms | 25 |
| Complexity | 577.0 |
| SMILES | C/C(=C\[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])/C(=O)OC |
| InChIKey | DIZCOKYZQWNMEF-LMSYVIICSA-N |
Chemical Property Profile of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))-
Property Insights of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))-
The XLogP value of 4.2 indicates that Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))-. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))-?
The CAS number of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))- is 125587-37-3.
What is the molecular formula of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))-?
The molecular formula of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))- is C18H21NO6.
What is the molecular weight of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))-?
The molecular weight of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))- is 347.1369 g/mol.
Where can I buy Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))-?
You can request a quote for Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))-?
Yes, CoreyChem provides custom synthesis services for Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-,(3-nitrophenyl)methyl ester, (1R-(1a,3b(E)))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.