Diethyl 1,1-cyclobutanedicarboxylate
TL;DR: Diethyl 1,1-cyclobutanedicarboxylate (CAS 3779-29-1) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl cyclobutane-1,1-dicarboxylate
Also Known As: Diethyl 1,1-cyclobutanedicarboxylate, Diethyl cyclobutane-1,1-dicarboxylate, 1, diethyl ester, 1,1-diethyl cyclobutane-1,1-dicarboxylate, Ecarazine hydrochloride
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 3779-29-1 |
|---|---|
| SMILES | CCOC(=O)C1(CCC1)C(=O)OCC |
| InChIKey | JPNJEJSZSMXWSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 1,1-cyclobutanedicarboxylate (CAS 3779-29-1), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: diethyl cyclobutane-1,1-dicarboxylate.
Chemical Property Profile of Diethyl 1,1-cyclobutanedicarboxylate
Property Insights of Diethyl 1,1-cyclobutanedicarboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1,1-cyclobutanedicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 1,1-cyclobutanedicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 1,1-cyclobutanedicarboxylate 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 Diethyl 1,1-cyclobutanedicarboxylate?
The CAS number of Diethyl 1,1-cyclobutanedicarboxylate is 3779-29-1.
What is the molecular formula of Diethyl 1,1-cyclobutanedicarboxylate?
The molecular formula of Diethyl 1,1-cyclobutanedicarboxylate is C10H16O4.
What is the molecular weight of Diethyl 1,1-cyclobutanedicarboxylate?
The molecular weight of Diethyl 1,1-cyclobutanedicarboxylate is 200.10 g/mol.
Where can I buy Diethyl 1,1-cyclobutanedicarboxylate?
You can request a quote for Diethyl 1,1-cyclobutanedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1,1-cyclobutanedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1,1-cyclobutanedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.