4-Benzyl-3-but-2-enoyl-oxazolidin-2-one
TL;DR: 4-Benzyl-3-but-2-enoyl-oxazolidin-2-one (CAS 90719-30-5) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-but-2-enoyl-1,3-oxazolidin-2-one
Also Known As: Locostatin, (S)-4-Benzyl-3-(but-2-enoyl)oxazolidin-2-one, 4-benzyl-3-but-2-enoyl-oxazolidin-2-one, (S,E)-4-BENZYL-3-(BUT-2-ENOYL)OXAZOLIDIN-2-ONE, 4-benzyl-3-but-2-enoyl-1,3-oxazolidin-2-one
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 90719-30-5 |
|---|---|
| SMILES | CC=CC(=O)N1C(COC1=O)CC2=CC=CC=C2 |
| InChIKey | UTZAFVPPWUIPBH-UHFFFAOYSA-N |
Product Overview
4-Benzyl-3-but-2-enoyl-oxazolidin-2-one (CAS 90719-30-5), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: 4-benzyl-3-but-2-enoyl-1,3-oxazolidin-2-one.
Chemical Property Profile of 4-Benzyl-3-but-2-enoyl-oxazolidin-2-one
Property Insights of 4-Benzyl-3-but-2-enoyl-oxazolidin-2-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyl-3-but-2-enoyl-oxazolidin-2-one. With a topological polar surface area (TPSA) of 46.6 Ų, 4-Benzyl-3-but-2-enoyl-oxazolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-3-but-2-enoyl-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 4-Benzyl-3-but-2-enoyl-oxazolidin-2-one?
The CAS number of 4-Benzyl-3-but-2-enoyl-oxazolidin-2-one is 90719-30-5.
What is the molecular formula of 4-Benzyl-3-but-2-enoyl-oxazolidin-2-one?
The molecular formula of 4-Benzyl-3-but-2-enoyl-oxazolidin-2-one is C14H15NO3.
What is the molecular weight of 4-Benzyl-3-but-2-enoyl-oxazolidin-2-one?
The molecular weight of 4-Benzyl-3-but-2-enoyl-oxazolidin-2-one is 245.11 g/mol.
Where can I buy 4-Benzyl-3-but-2-enoyl-oxazolidin-2-one?
You can request a quote for 4-Benzyl-3-but-2-enoyl-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 4-Benzyl-3-but-2-enoyl-oxazolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-3-but-2-enoyl-oxazolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.