4,4-Diethyl-3,5-isoxazolidinedione
TL;DR: 4,4-Diethyl-3,5-isoxazolidinedione (CAS 5304-92-7) is a chemical compound with molecular formula C7H11NO3 and molecular weight 157.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-diethyl-1,2-oxazolidine-3,5-dione
Also Known As: NIOSH/NY2944450, 4,4-Diethylisoxazolidine-3,5-dione, 4,4-Diethyl-3,5-isoxazolidinedione, 4,4-diethyl-1,2-oxazolidine-3,5-dione, 3,5-Isoxazolidinedione, 4,4-diethyl-
| Molecular Formula | C7H11NO3 |
|---|---|
| Molecular Weight | 157.07 g/mol |
| LogP | 0.3808 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.0739 |
| Heavy Atoms | 11 |
| Complexity | 177.86237 |
Chemical Identifiers
| CAS Number | 5304-92-7 |
|---|---|
| SMILES | CCC1(C(=O)NOC1=O)CC |
Product Overview
4,4-Diethyl-3,5-isoxazolidinedione (CAS 5304-92-7), with molecular formula C7H11NO3 and molecular weight 157.07 g/mol. IUPAC: 4,4-diethyl-1,2-oxazolidine-3,5-dione.
Chemical Property Profile of 4,4-Diethyl-3,5-isoxazolidinedione
Property Insights of 4,4-Diethyl-3,5-isoxazolidinedione
The XLogP value of 0.3808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Diethyl-3,5-isoxazolidinedione. With a topological polar surface area (TPSA) of 55.4 Ų, 4,4-Diethyl-3,5-isoxazolidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Diethyl-3,5-isoxazolidinedione has 1 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 4,4-Diethyl-3,5-isoxazolidinedione?
The CAS number of 4,4-Diethyl-3,5-isoxazolidinedione is 5304-92-7.
What is the molecular formula of 4,4-Diethyl-3,5-isoxazolidinedione?
The molecular formula of 4,4-Diethyl-3,5-isoxazolidinedione is C7H11NO3.
What is the molecular weight of 4,4-Diethyl-3,5-isoxazolidinedione?
The molecular weight of 4,4-Diethyl-3,5-isoxazolidinedione is 157.07 g/mol.
Where can I buy 4,4-Diethyl-3,5-isoxazolidinedione?
You can request a quote for 4,4-Diethyl-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 4,4-Diethyl-3,5-isoxazolidinedione?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Diethyl-3,5-isoxazolidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.