Benzyl 2-oxocyclopentane-1-carboxylate
TL;DR: Benzyl 2-oxocyclopentane-1-carboxylate (CAS 112207-03-1) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-oxocyclopentane-1-carboxylate
Also Known As: Benzyl 2-oxocyclopentane-1-carboxylate, benzyl 2-oxocyclopentanecarboxylate, 2-benzyloxycarbonylcyclopentanone, Benzyl 2-oxo-cyclopentanecarboxylate, Benzyl-2-oxo-cyclopentanecarboxylate
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.099 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 383.424 |
Chemical Identifiers
| CAS Number | 112207-03-1 |
|---|---|
| SMILES | C1CC(C(=O)C1)C(=O)OCC2=CC=CC=C2 |
Product Overview
Benzyl 2-oxocyclopentane-1-carboxylate (CAS 112207-03-1), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: benzyl 2-oxocyclopentane-1-carboxylate.
Chemical Property Profile of Benzyl 2-oxocyclopentane-1-carboxylate
Property Insights of Benzyl 2-oxocyclopentane-1-carboxylate
The XLogP value of 2.099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-oxocyclopentane-1-carboxylate. With a topological polar surface area (TPSA) of 43.37 Ų, Benzyl 2-oxocyclopentane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-oxocyclopentane-1-carboxylate has 0 hydrogen bond donor(s) and 3 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 Benzyl 2-oxocyclopentane-1-carboxylate?
The CAS number of Benzyl 2-oxocyclopentane-1-carboxylate is 112207-03-1.
What is the molecular formula of Benzyl 2-oxocyclopentane-1-carboxylate?
The molecular formula of Benzyl 2-oxocyclopentane-1-carboxylate is C13H14O3.
What is the molecular weight of Benzyl 2-oxocyclopentane-1-carboxylate?
The molecular weight of Benzyl 2-oxocyclopentane-1-carboxylate is 218.09 g/mol.
Where can I buy Benzyl 2-oxocyclopentane-1-carboxylate?
You can request a quote for Benzyl 2-oxocyclopentane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-oxocyclopentane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-oxocyclopentane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.