Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester
TL;DR: Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester (CAS 108546-98-1) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 1-prop-2-enylcyclopropane-1-carboxylate
Also Known As: tert-Butyl 1-allylcyclopropanecarboxylate, Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester, tert-butyl 1-prop-2-enylcyclopropane-1-carboxylate, tert-Butyl 1-allylcyclopropane-1-carboxylate, tert-Butyl 1-allylcyclopropanecarboxylate #
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 108546-98-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1(CC1)CC=C |
| InChIKey | IEGRERWWBGTPRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester (CAS 108546-98-1), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: tert-butyl 1-prop-2-enylcyclopropane-1-carboxylate.
Chemical Property Profile of Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester
Property Insights of Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl 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, 1-(2-propenyl)-, 1,1-dimethylethyl ester?
The CAS number of Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester is 108546-98-1.
What is the molecular formula of Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester?
The molecular formula of Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester is C11H18O2.
What is the molecular weight of Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester?
The molecular weight of Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester is 182.13 g/mol.
Where can I buy Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester?
You can request a quote for Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl 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, 1-(2-propenyl)-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropanecarboxylic acid, 1-(2-propenyl)-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.