Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate
TL;DR: Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate (CAS 125587-35-1) is a chemical compound with molecular formula C19H24O4 and molecular weight 316.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(3-methylphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate, (1R)-2beta-[(E)-2-(Methoxycarbonyl)-1-propenyl]-3,3-dimethylcyclopropane-1alpha-carboxylic acid m-methylbenzyl ester, (3-METHYLPHENYL)METHYL (1R,3R)-3-[(1E)-3-METHOXY-2-METHYL-3-OXOPROP-1-EN-1-YL]-2,2-DIMETHYLCYCLOPROPANE-1-CARBOXYLATE, (3-methylphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate, METHYL (E)-3-[(1S,3R)-2,2-DIMETHYL-3-[(3-METHYLPHENYL)METHOXYCARBONYL]CYCLOPROPYL]-2-METHYL-PROP-2-ENOATE
| Molecular Formula | C19H24O4 |
|---|---|
| Molecular Weight | 316.17 g/mol |
| LogP | 3.42972 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.16745 |
| Heavy Atoms | 23 |
| Complexity | 642.5246 |
Chemical Identifiers
| CAS Number | 125587-35-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)COC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC |
Product Overview
Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate (CAS 125587-35-1), with molecular formula C19H24O4 and molecular weight 316.17 g/mol. IUPAC: cis-(3-methylphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate
Property Insights of Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate
The XLogP value of 3.42972 indicates that Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate 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 Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate?
The CAS number of Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate is 125587-35-1.
What is the molecular formula of Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate?
The molecular formula of Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate is C19H24O4.
What is the molecular weight of Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate?
The molecular weight of Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate is 316.17 g/mol.
Where can I buy Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate?
You can request a quote for Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (E)-3-((1S,3R)-2,2-Dimethyl-3-((3-methylphenyl)methoxycarbonyl)cyclopropyl)-2-methylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.