3-But-2-enoyl-4-phenyl-1,3-oxazolidin-2-one
TL;DR: 3-But-2-enoyl-4-phenyl-1,3-oxazolidin-2-one (CAS 188559-05-9) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-but-2-enoyl-4-phenyl-1,3-oxazolidin-2-one
Also Known As: (R,E)-3-but-2-enoyl-4-phenyloxazolidin-2-one, 3-but-2-enoyl-4-phenyl-1,3-oxazolidin-2-one, (R,E)-3-(BUT-2-ENOYL)-4-PHENYLOXAZOLIDIN-2-ONE
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 188559-05-9 |
|---|---|
| SMILES | CC=CC(=O)N1C(COC1=O)C2=CC=CC=C2 |
| InChIKey | DCVIMWRFFDRWJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-But-2-enoyl-4-phenyl-1,3-oxazolidin-2-one (CAS 188559-05-9), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 3-but-2-enoyl-4-phenyl-1,3-oxazolidin-2-one.
Chemical Property Profile of 3-But-2-enoyl-4-phenyl-1,3-oxazolidin-2-one
Property Insights of 3-But-2-enoyl-4-phenyl-1,3-oxazolidin-2-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-But-2-enoyl-4-phenyl-1,3-oxazolidin-2-one. With a topological polar surface area (TPSA) of 46.6 Ų, 3-But-2-enoyl-4-phenyl-1,3-oxazolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-But-2-enoyl-4-phenyl-1,3-oxazolidin-2-one 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-But-2-enoyl-4-phenyl-1,3-oxazolidin-2-one?
The CAS number of 3-But-2-enoyl-4-phenyl-1,3-oxazolidin-2-one is 188559-05-9.
What is the molecular formula of 3-But-2-enoyl-4-phenyl-1,3-oxazolidin-2-one?
The molecular formula of 3-But-2-enoyl-4-phenyl-1,3-oxazolidin-2-one is C13H13NO3.
What is the molecular weight of 3-But-2-enoyl-4-phenyl-1,3-oxazolidin-2-one?
The molecular weight of 3-But-2-enoyl-4-phenyl-1,3-oxazolidin-2-one is 231.09 g/mol.
Where can I buy 3-But-2-enoyl-4-phenyl-1,3-oxazolidin-2-one?
You can request a quote for 3-But-2-enoyl-4-phenyl-1,3-oxazolidin-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-But-2-enoyl-4-phenyl-1,3-oxazolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-But-2-enoyl-4-phenyl-1,3-oxazolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.