Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)-
TL;DR: Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)- (CAS 128347-62-6) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-[3-(2-methylpropanoyl)phenyl]methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)-, [3-(2-METHYLPROPANOYL)PHENYL]METHYL (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-EN-1-YL)CYCLOPROPANE-1-CARBOXYLATE, (1R)-2beta-(2-Methyl-1-propenyl)-3,3-dimethylcyclopropane-1alpha-carboxylic acid 3-(2-methylpropionyl)benzyl ester, [3-(2-methylpropanoyl)phenyl]methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, [3-(2-Methylpropanoyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 128347-62-6 |
|---|---|
| SMILES | CC(C)C(=O)C1=CC=CC(=C1)COC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C |
| InChIKey | YHNMYCFZQLXORI-MSOLQXFVSA-N |
Product Overview
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)- (CAS 128347-62-6), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: cis-[3-(2-methylpropanoyl)phenyl]methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
Chemical Property Profile of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)-
Property Insights of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)-
The XLogP value of 6.1 indicates that Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)-?
The CAS number of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)- is 128347-62-6.
What is the molecular formula of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)-?
The molecular formula of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)- is C21H28O3.
What is the molecular weight of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)-?
The molecular weight of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)- is 328.20 g/mol.
Where can I buy Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)-?
You can request a quote for Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)- 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-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-(2-methyl-1-oxopropyl)phenyl)methyl ester, (1R-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.