4-Benzyl-2-methyl-3,5-isoxazolidinedione
TL;DR: 4-Benzyl-2-methyl-3,5-isoxazolidinedione (CAS 5304-96-1) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-2-methyl-1,2-oxazolidine-3,5-dione
Also Known As: NIOSH/NY2943800, 4-benzyl-2-methyl-isoxazolidine-3,5-dione, 4-Benzyl-2-methyl-3,5-isoxazolidinedione, 3,5-Isoxazolidinedione, 4-benzyl-2-methyl-, 4-benzyl-2-methyl-1,2-oxazolidine-3,5-dione
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 0.7755 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 388.0793 |
Chemical Identifiers
| CAS Number | 5304-96-1 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)O1)CC2=CC=CC=C2 |
Product Overview
4-Benzyl-2-methyl-3,5-isoxazolidinedione (CAS 5304-96-1), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: 4-benzyl-2-methyl-1,2-oxazolidine-3,5-dione.
Chemical Property Profile of 4-Benzyl-2-methyl-3,5-isoxazolidinedione
Property Insights of 4-Benzyl-2-methyl-3,5-isoxazolidinedione
The XLogP value of 0.7755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyl-2-methyl-3,5-isoxazolidinedione. With a topological polar surface area (TPSA) of 46.61 Ų, 4-Benzyl-2-methyl-3,5-isoxazolidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-2-methyl-3,5-isoxazolidinedione 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-2-methyl-3,5-isoxazolidinedione?
The CAS number of 4-Benzyl-2-methyl-3,5-isoxazolidinedione is 5304-96-1.
What is the molecular formula of 4-Benzyl-2-methyl-3,5-isoxazolidinedione?
The molecular formula of 4-Benzyl-2-methyl-3,5-isoxazolidinedione is C11H11NO3.
What is the molecular weight of 4-Benzyl-2-methyl-3,5-isoxazolidinedione?
The molecular weight of 4-Benzyl-2-methyl-3,5-isoxazolidinedione is 205.07 g/mol.
Where can I buy 4-Benzyl-2-methyl-3,5-isoxazolidinedione?
You can request a quote for 4-Benzyl-2-methyl-3,5-isoxazolidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-2-methyl-3,5-isoxazolidinedione?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-2-methyl-3,5-isoxazolidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.