4-Benzylmorpholine-2,3-dione
TL;DR: 4-Benzylmorpholine-2,3-dione (CAS 110843-90-8) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-benzylmorpholine-2,3-dione
Also Known As: 4-benzylmorpholine-2,3-dione, 4-Benzyl-2,3-morpholinedione, Aprepitant Impurity 44, 4-Benzyl-morpholine-2,3-dione, BAS 09626783
Technical Specifications
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.0739 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.0739 Da |
| Heavy Atoms | 15 |
| Complexity | 259.0 |
| SMILES | C1COC(=O)C(=O)N1CC2=CC=CC=C2 |
| InChIKey | ZOYULESMFLWDHB-UHFFFAOYSA-N |
Chemical Property Profile of 4-Benzylmorpholine-2,3-dione
Property Insights of 4-Benzylmorpholine-2,3-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzylmorpholine-2,3-dione. With a topological polar surface area (TPSA) of 46.6 Ų, 4-Benzylmorpholine-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzylmorpholine-2,3-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
What is the CAS number of 4-Benzylmorpholine-2,3-dione?
The CAS number of 4-Benzylmorpholine-2,3-dione is 110843-90-8.
What is the molecular formula of 4-Benzylmorpholine-2,3-dione?
The molecular formula of 4-Benzylmorpholine-2,3-dione is C11H11NO3.
What is the molecular weight of 4-Benzylmorpholine-2,3-dione?
The molecular weight of 4-Benzylmorpholine-2,3-dione is 205.0739 g/mol.
Where can I buy 4-Benzylmorpholine-2,3-dione?
You can request a quote for 4-Benzylmorpholine-2,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Benzylmorpholine-2,3-dione?
Yes, CoreyChem provides custom synthesis services for 4-Benzylmorpholine-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.