Phenylmethyl 2-oxocyclohexanecarboxylate
TL;DR: Phenylmethyl 2-oxocyclohexanecarboxylate (CAS 2205-32-5) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-oxocyclohexane-1-carboxylate
Also Known As: benzyl 2-oxocyclohexane-1-carboxylate, starbld0021561, benzyl 2-oxo-cyclohexanecarboxylate, benzyl 2-oxocyclohexanecarboxylate, Phenylmethyl 2-oxocyclohexanecarboxylate
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 2205-32-5 |
|---|---|
| SMILES | C1CCC(=O)C(C1)C(=O)OCC2=CC=CC=C2 |
| InChIKey | UZOGMVJYLSQKCU-UHFFFAOYSA-N |
Product Overview
Phenylmethyl 2-oxocyclohexanecarboxylate (CAS 2205-32-5), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: benzyl 2-oxocyclohexane-1-carboxylate.
Chemical Property Profile of Phenylmethyl 2-oxocyclohexanecarboxylate
Property Insights of Phenylmethyl 2-oxocyclohexanecarboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylmethyl 2-oxocyclohexanecarboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Phenylmethyl 2-oxocyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylmethyl 2-oxocyclohexanecarboxylate 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 Phenylmethyl 2-oxocyclohexanecarboxylate?
The CAS number of Phenylmethyl 2-oxocyclohexanecarboxylate is 2205-32-5.
What is the molecular formula of Phenylmethyl 2-oxocyclohexanecarboxylate?
The molecular formula of Phenylmethyl 2-oxocyclohexanecarboxylate is C14H16O3.
What is the molecular weight of Phenylmethyl 2-oxocyclohexanecarboxylate?
The molecular weight of Phenylmethyl 2-oxocyclohexanecarboxylate is 232.11 g/mol.
Where can I buy Phenylmethyl 2-oxocyclohexanecarboxylate?
You can request a quote for Phenylmethyl 2-oxocyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylmethyl 2-oxocyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenylmethyl 2-oxocyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.