Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)-
TL;DR: Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)- (CAS 82535-31-7) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(4-nitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)-, (4-NITROPHENYL)METHYL (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-EN-1-YL)CYCLOPROPANE-1-CARBOXYLATE, (4-nitrophenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, (1R)-2beta-(2-Methyl-1-propenyl)-3,3-dimethylcyclopropane-1alpha-carboxylic acid p-nitrobenzyl ester, (4-nitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 82535-31-7 |
|---|---|
| SMILES | CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C |
| InChIKey | MYPBCHKEKSZNSG-CABCVRRESA-N |
Product Overview
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)- (CAS 82535-31-7), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: cis-(4-nitrophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
Chemical Property Profile of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)-
Property Insights of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)-
The XLogP value of 5.3 indicates that Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)-. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)-?
The CAS number of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)- is 82535-31-7.
What is the molecular formula of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)-?
The molecular formula of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)- is C17H21NO4.
What is the molecular weight of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)-?
The molecular weight of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)- is 303.15 g/mol.
Where can I buy Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)-?
You can request a quote for Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-nitrophenyl)methyl ester, (1R-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.