Diethyl 5-oxocyclooctane-1,1-dicarboxylate
TL;DR: Diethyl 5-oxocyclooctane-1,1-dicarboxylate (CAS 274255-51-5) is a chemical compound with molecular formula C14H22O5 and molecular weight 270.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-oxocyclooctane-1,1-dicarboxylate
Also Known As: diethyl 5-oxocyclooctane-1,1-dicarboxylate, HEXAMETHYLPHOSPHORAMIDE, 1,1-diethyl 5-oxocyclooctane-1,1-dicarboxylate, DIETHYL5-OXOCYCLOOCTANE-1,1-DICARBOXYLATE, Diethyl 5-oxo-1,1-cyclooctanedicarboxylate #
| Molecular Formula | C14H22O5 |
|---|---|
| Molecular Weight | 270.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.14673 |
| Heavy Atoms | 19 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 274255-51-5 |
|---|---|
| SMILES | CCOC(=O)C1(CCCC(=O)CCC1)C(=O)OCC |
| InChIKey | NFFLGTPLKLWJHA-UHFFFAOYSA-N |
Product Overview
Diethyl 5-oxocyclooctane-1,1-dicarboxylate (CAS 274255-51-5), with molecular formula C14H22O5 and molecular weight 270.15 g/mol. IUPAC: diethyl 5-oxocyclooctane-1,1-dicarboxylate.
Chemical Property Profile of Diethyl 5-oxocyclooctane-1,1-dicarboxylate
Property Insights of Diethyl 5-oxocyclooctane-1,1-dicarboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 5-oxocyclooctane-1,1-dicarboxylate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 5-oxocyclooctane-1,1-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 5-oxocyclooctane-1,1-dicarboxylate 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 5-oxocyclooctane-1,1-dicarboxylate?
The CAS number of Diethyl 5-oxocyclooctane-1,1-dicarboxylate is 274255-51-5.
What is the molecular formula of Diethyl 5-oxocyclooctane-1,1-dicarboxylate?
The molecular formula of Diethyl 5-oxocyclooctane-1,1-dicarboxylate is C14H22O5.
What is the molecular weight of Diethyl 5-oxocyclooctane-1,1-dicarboxylate?
The molecular weight of Diethyl 5-oxocyclooctane-1,1-dicarboxylate is 270.15 g/mol.
Where can I buy Diethyl 5-oxocyclooctane-1,1-dicarboxylate?
You can request a quote for Diethyl 5-oxocyclooctane-1,1-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 5-oxocyclooctane-1,1-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5-oxocyclooctane-1,1-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.