Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))-
TL;DR: Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))- (CAS 115809-87-5) is a chemical compound with molecular formula C20H26O5 and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(3-ethoxyphenyl)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-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))-, (3-ethoxyphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
| Molecular Formula | C20H26O5 |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 3.52 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.178 |
| Heavy Atoms | 25 |
| Complexity | 674.419 |
Chemical Identifiers
| CAS Number | 115809-87-5 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)COC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC |
Product Overview
Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))- (CAS 115809-87-5), with molecular formula C20H26O5 and molecular weight 346.18 g/mol. IUPAC: cis-(3-ethoxyphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))-
Property Insights of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))-
The XLogP value of 3.52 indicates that Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 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-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))-. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))- has 0 hydrogen bond donor(s) and 5 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 Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))-?
The CAS number of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))- is 115809-87-5.
What is the molecular formula of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))-?
The molecular formula of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))- is C20H26O5.
What is the molecular weight of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))-?
The molecular weight of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))- is 346.18 g/mol.
Where can I buy Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))-?
You can request a quote for Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))-?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-ethoxyphenyl)methyl ester, (1R-(1alpha,3beta(E)))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.