3-(1-Phenylethyl)oxolane-2,5-dione
TL;DR: 3-(1-Phenylethyl)oxolane-2,5-dione (CAS 54093-30-0) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-phenylethyl)oxolane-2,5-dione
Also Known As: 3-(1-phenylethyl)oxolane-2,5-dione, 3-(1-phenylethyl)dihydrofuran-2,5-dione, (RS)-((RS)-1-phenyl-ethyl)-succinic acid-anhydride, 2,5-Furandione,dihydro-3-(1-phenylethyl)-, (RS)-((RS)-1-Phenyl-aethyl)-bernsteinsaeure-anhydrid
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 54093-30-0 |
|---|---|
| SMILES | CC(C1CC(=O)OC1=O)C2=CC=CC=C2 |
| InChIKey | PWSNISILRLHKNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1-Phenylethyl)oxolane-2,5-dione (CAS 54093-30-0), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 3-(1-phenylethyl)oxolane-2,5-dione.
Chemical Property Profile of 3-(1-Phenylethyl)oxolane-2,5-dione
Property Insights of 3-(1-Phenylethyl)oxolane-2,5-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Phenylethyl)oxolane-2,5-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 3-(1-Phenylethyl)oxolane-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Phenylethyl)oxolane-2,5-dione 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 3-(1-Phenylethyl)oxolane-2,5-dione?
The CAS number of 3-(1-Phenylethyl)oxolane-2,5-dione is 54093-30-0.
What is the molecular formula of 3-(1-Phenylethyl)oxolane-2,5-dione?
The molecular formula of 3-(1-Phenylethyl)oxolane-2,5-dione is C12H12O3.
What is the molecular weight of 3-(1-Phenylethyl)oxolane-2,5-dione?
The molecular weight of 3-(1-Phenylethyl)oxolane-2,5-dione is 204.08 g/mol.
Where can I buy 3-(1-Phenylethyl)oxolane-2,5-dione?
You can request a quote for 3-(1-Phenylethyl)oxolane-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Phenylethyl)oxolane-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Phenylethyl)oxolane-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.