Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))-
TL;DR: Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))- (CAS 109838-38-2) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-benzyl (1R,3S)-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-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))-, benzyl (1R,3S)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate, Methyl (E)-3-[(1R,3R)-2,2-dimethyl-3-phenylmethoxycarbonyl-cyclopropyl]-2-methyl-prop-2-enoate
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 3.1213 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 586.36456 |
Chemical Identifiers
| CAS Number | 109838-38-2 |
|---|---|
| SMILES | C/C(=C\[C@H]1[C@H](C1(C)C)C(=O)OCC2=CC=CC=C2)/C(=O)OC |
Product Overview
Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))- (CAS 109838-38-2), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: trans-benzyl (1R,3S)-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-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))-
Property Insights of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))-
The XLogP value of 3.1213 indicates that Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))- has 0 hydrogen bond donor(s) and 4 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-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))-?
The CAS number of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))- is 109838-38-2.
What is the molecular formula of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))-?
The molecular formula of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))- is C18H22O4.
What is the molecular weight of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))-?
The molecular weight of Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))- is 302.15 g/mol.
Where can I buy Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))-?
You can request a quote for Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, phenylmethyl ester, (1R-(1alpha,3alphe(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-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))-?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, phenylmethyl ester, (1R-(1alpha,3alphe(E)))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.