Diethyl(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate
TL;DR: Diethyl(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate (CAS 107288-22-2) is a chemical compound with molecular formula C17H19NO5 and molecular weight 317.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-oxo-5-phenyliminocyclopentane-1,3-dicarboxylate
Also Known As: diethyl(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate, diethyl 4-oxo-5-phenyliminocyclopentane-1,3-dicarboxylate, Diethyl (5Z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate
| Molecular Formula | C17H19NO5 |
|---|---|
| Molecular Weight | 317.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.1263 |
| Heavy Atoms | 23 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 107288-22-2 |
|---|---|
| SMILES | CCOC(=O)C1CC(C(=O)C1=NC2=CC=CC=C2)C(=O)OCC |
| InChIKey | BCXHWLRGPPABRC-UHFFFAOYSA-N |
Product Overview
Diethyl(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate (CAS 107288-22-2), with molecular formula C17H19NO5 and molecular weight 317.13 g/mol. IUPAC: diethyl 4-oxo-5-phenyliminocyclopentane-1,3-dicarboxylate.
Chemical Property Profile of Diethyl(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate
Property Insights of Diethyl(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate. Following Lipinski's Rule of Five, Diethyl(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate has 0 hydrogen bond donor(s) and 6 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(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate?
The CAS number of Diethyl(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate is 107288-22-2.
What is the molecular formula of Diethyl(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate?
The molecular formula of Diethyl(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate is C17H19NO5.
What is the molecular weight of Diethyl(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate?
The molecular weight of Diethyl(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate is 317.13 g/mol.
Where can I buy Diethyl(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate?
You can request a quote for Diethyl(5z)-4-oxo-5-(phenylimino)cyclopentane-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(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(5z)-4-oxo-5-(phenylimino)cyclopentane-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.