(3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
TL;DR: (3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CAS 88217-96-3) is a chemical compound with molecular formula C17H20N2O6 and molecular weight 348.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: (3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, (3,5-DINITROPHENYL)METHYL (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-EN-1-YL)CYCLOPROPANE-1-CARBOXYLATE, (3,5-dinitrophenyl)methyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, (3,5-Dinitrophenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3,5-dinitrophenyl)methyl ester, trans-
| Molecular Formula | C17H20N2O6 |
|---|---|
| Molecular Weight | 348.13 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.13214 |
| Heavy Atoms | 25 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 88217-96-3 |
|---|---|
| SMILES | CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C |
| InChIKey | PBEAULPMPPEOHU-CABCVRRESA-N |
Product Overview
(3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CAS 88217-96-3), with molecular formula C17H20N2O6 and molecular weight 348.13 g/mol. IUPAC: cis-(3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
Chemical Property Profile of (3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Property Insights of (3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
The XLogP value of 5.0 indicates that (3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate. Following Lipinski's Rule of Five, (3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate 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
Frequently Asked Questions
What is the CAS number of (3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The CAS number of (3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is 88217-96-3.
What is the molecular formula of (3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The molecular formula of (3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is C17H20N2O6.
What is the molecular weight of (3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The molecular weight of (3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is 348.13 g/mol.
Where can I buy (3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
You can request a quote for (3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (3,5-dinitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.