Diethyl cyclobutane-1,3-dicarboxylate
TL;DR: Diethyl cyclobutane-1,3-dicarboxylate (CAS 91057-77-1) 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-1,3-dicarboxylate
Also Known As: diethyl cyclobutane-1,3-dicarboxylate, diethyl-1,3-cyclobutanedicarboxylate, 1,3-Cyclobutanedicarboxylic acid,diethyl ester, 1,3-diethyl (1r,3r)-cyclobutane-1,3-dicarboxylate, 1,3-diethyl (1s,3s)-cyclobutane-1,3-dicarboxylate
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.2 |
| 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 | 192.0 |
Chemical Identifiers
| CAS Number | 91057-77-1 |
|---|---|
| SMILES | CCOC(=O)C1CC(C1)C(=O)OCC |
| InChIKey | CDSIDUDJBDSOIC-UHFFFAOYSA-N |
Product Overview
Diethyl cyclobutane-1,3-dicarboxylate (CAS 91057-77-1), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: diethyl cyclobutane-1,3-dicarboxylate.
Chemical Property Profile of Diethyl cyclobutane-1,3-dicarboxylate
Property Insights of Diethyl cyclobutane-1,3-dicarboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl cyclobutane-1,3-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl cyclobutane-1,3-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl cyclobutane-1,3-dicarboxylate 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 cyclobutane-1,3-dicarboxylate?
The CAS number of Diethyl cyclobutane-1,3-dicarboxylate is 91057-77-1.
What is the molecular formula of Diethyl cyclobutane-1,3-dicarboxylate?
The molecular formula of Diethyl cyclobutane-1,3-dicarboxylate is C10H16O4.
What is the molecular weight of Diethyl cyclobutane-1,3-dicarboxylate?
The molecular weight of Diethyl cyclobutane-1,3-dicarboxylate is 200.10 g/mol.
Where can I buy Diethyl cyclobutane-1,3-dicarboxylate?
You can request a quote for Diethyl cyclobutane-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl cyclobutane-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl cyclobutane-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.