Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propenyl)-, methyl ester
TL;DR: Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propenyl)-, methyl ester (CAS 40447-55-0) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylate
Also Known As: methyl 2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propenyl)-, methyl ester, methyl 3,3-dimethyl-2-(1-propenyl)cyclopropanecarboxylate, METHYL 2,2-DIMETHYL-3-(PROP-1-EN-1-YL)CYCLOPROPANE-1-CARBOXYLATE
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 40447-55-0 |
|---|---|
| SMILES | CC=CC1C(C1(C)C)C(=O)OC |
| InChIKey | UKNHEHNRUOKYKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propenyl)-, methyl ester (CAS 40447-55-0), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: methyl 2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylate.
Chemical Property Profile of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propenyl)-, methyl ester
Property Insights of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propenyl)-, methyl ester
The XLogP value of 3.1 indicates that Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propenyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propenyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propenyl)-, methyl ester has 0 hydrogen bond donor(s) and 2 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, 2,2-dimethyl-3-(1-propenyl)-, methyl ester?
The CAS number of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propenyl)-, methyl ester is 40447-55-0.
What is the molecular formula of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propenyl)-, methyl ester?
The molecular formula of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propenyl)-, methyl ester is C10H16O2.
What is the molecular weight of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propenyl)-, methyl ester?
The molecular weight of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propenyl)-, methyl ester is 168.12 g/mol.
Where can I buy Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propenyl)-, methyl ester?
You can request a quote for Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propenyl)-, methyl ester 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-(1-propenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1-propenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.