Diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate
TL;DR: Diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate (CAS 477725-46-5) is a chemical compound with molecular formula C16H27NO4 and molecular weight 297.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3,3-dimethyl-4-pyrrolidin-1-ylcyclobutane-1,2-dicarboxylate
Also Known As: diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate, 1,2-diethyl 3,3-dimethyl-4-(pyrrolidin-1-yl)cyclobutane-1,2-dicarboxylate, 6P-045, diethyl 3,3-dimethyl-4-pyrrolidin-1-ylcyclobutane-1,2-dicarboxylate, Diethyl 3,3-dimethyl-4-pyrrolidin-1-yl-cyclobutane-1,2-dicarboxylate
| Molecular Formula | C16H27NO4 |
|---|---|
| Molecular Weight | 297.19 g/mol |
| LogP | 1.8492 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.194 |
| Heavy Atoms | 21 |
| Complexity | 401.08115 |
Chemical Identifiers
| CAS Number | 477725-46-5 |
|---|---|
| SMILES | CCOC(=O)C1C(C(C1N2CCCC2)(C)C)C(=O)OCC |
Product Overview
Diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate (CAS 477725-46-5), with molecular formula C16H27NO4 and molecular weight 297.19 g/mol. IUPAC: diethyl 3,3-dimethyl-4-pyrrolidin-1-ylcyclobutane-1,2-dicarboxylate.
Chemical Property Profile of Diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate
Property Insights of Diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate
The XLogP value of 1.8492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate. With a topological polar surface area (TPSA) of 55.84 Ų, Diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate has 0 hydrogen bond donor(s) and 5 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 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate?
The CAS number of Diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate is 477725-46-5.
What is the molecular formula of Diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate?
The molecular formula of Diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate is C16H27NO4.
What is the molecular weight of Diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate?
The molecular weight of Diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate is 297.19 g/mol.
Where can I buy Diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate?
You can request a quote for Diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3,3-dimethyl-4-(1-pyrrolidinyl)-1,2-cyclobutanedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.