2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester
TL;DR: 2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester (CAS 344746-96-9) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methoxy-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Methyl 3-methoxy-2,2-dimethylcyclopropanecarboxylate, methyl 3-methoxy-2,2-dimethylcyclopropane-1-carboxylate, Methyl 3-methoxy-2,2-dimethylcyclopropanecarboxylate #, Cyclopropanecarboxylicacid,3-methoxy-2,2-dimethyl-,methylester, 2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 344746-96-9 |
|---|---|
| SMILES | CC1(C(C1OC)C(=O)OC)C |
| InChIKey | PKOOCVPOZCOXJH-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester (CAS 344746-96-9), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: methyl 3-methoxy-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of 2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester
Property Insights of 2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, 2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester has 0 hydrogen bond donor(s) and 3 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 2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester?
The CAS number of 2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester is 344746-96-9.
What is the molecular formula of 2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester?
The molecular formula of 2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester is C8H14O3.
What is the molecular weight of 2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester?
The molecular weight of 2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester is 158.09 g/mol.
Where can I buy 2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester?
You can request a quote for 2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-3-methoxy-cyclopropane-1-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.