3-Ethyl-3-phenyloxolan-2-one
TL;DR: 3-Ethyl-3-phenyloxolan-2-one (CAS 4064-16-8) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-3-phenyloxolan-2-one
Also Known As: BEFL, 3-ethyl-3-phenyloxolan-2-one, 5-Etylo-5-fenylo-beta-butyrolakton, alpha-Ethyl-alpha-phenyl-gamma-butyrolactone, 3-ethyl-3-phenyl-dihydro-furan-2-one
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 4064-16-8 |
|---|---|
| SMILES | CCC1(CCOC1=O)C2=CC=CC=C2 |
| InChIKey | TVRCQMFDVHKZHL-UHFFFAOYSA-N |
Product Overview
3-Ethyl-3-phenyloxolan-2-one (CAS 4064-16-8), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 3-ethyl-3-phenyloxolan-2-one.
Chemical Property Profile of 3-Ethyl-3-phenyloxolan-2-one
Property Insights of 3-Ethyl-3-phenyloxolan-2-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-3-phenyloxolan-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Ethyl-3-phenyloxolan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-3-phenyloxolan-2-one has 0 hydrogen bond donor(s) and 2 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 3-Ethyl-3-phenyloxolan-2-one?
The CAS number of 3-Ethyl-3-phenyloxolan-2-one is 4064-16-8.
What is the molecular formula of 3-Ethyl-3-phenyloxolan-2-one?
The molecular formula of 3-Ethyl-3-phenyloxolan-2-one is C12H14O2.
What is the molecular weight of 3-Ethyl-3-phenyloxolan-2-one?
The molecular weight of 3-Ethyl-3-phenyloxolan-2-one is 190.10 g/mol.
Where can I buy 3-Ethyl-3-phenyloxolan-2-one?
You can request a quote for 3-Ethyl-3-phenyloxolan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-3-phenyloxolan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-3-phenyloxolan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.