Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester
TL;DR: Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester (CAS 62184-64-9) is a chemical compound with molecular formula C11H18O4 and molecular weight 214.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-methoxy-2-oxoethyl)-2,2-dimethylcyclobutane-1-carboxylate
Also Known As: Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester, methyl 3-(2-methoxy-2-oxoethyl)-2,2-dimethylcyclobutane-1-carboxylate
| Molecular Formula | C11H18O4 |
|---|---|
| Molecular Weight | 214.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.12051 |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 62184-64-9 |
|---|---|
| SMILES | CC1(C(CC1C(=O)OC)CC(=O)OC)C |
| InChIKey | RFRMLUSQJNLFME-UHFFFAOYSA-N |
Product Overview
Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester (CAS 62184-64-9), with molecular formula C11H18O4 and molecular weight 214.12 g/mol. IUPAC: methyl 3-(2-methoxy-2-oxoethyl)-2,2-dimethylcyclobutane-1-carboxylate.
Chemical Property Profile of Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester
Property Insights of Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester 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 Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester?
The CAS number of Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester is 62184-64-9.
What is the molecular formula of Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester?
The molecular formula of Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester is C11H18O4.
What is the molecular weight of Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester?
The molecular weight of Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester is 214.12 g/mol.
Where can I buy Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester?
You can request a quote for Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclobutaneacetic acid, 3-carboxy-2,2-dimethyl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.