4-(Phenylmethyl)-2,5-oxazolidinedione
TL;DR: 4-(Phenylmethyl)-2,5-oxazolidinedione (CAS 583-47-1) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-1,3-oxazolidine-2,5-dione
Also Known As: 4-Benzyloxazolidine-2,5-dione, 4-benzyl-1,3-oxazolidine-2,5-dione, L-Phe-NCA, 4-Benzyl-2,5-oxazolidinedione, (R)-4-Benzyloxazolidine-2,5-dione
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 583-47-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2C(=O)OC(=O)N2 |
| InChIKey | GQBIVYSGPXCELZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Phenylmethyl)-2,5-oxazolidinedione (CAS 583-47-1), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: 4-benzyl-1,3-oxazolidine-2,5-dione.
Chemical Property Profile of 4-(Phenylmethyl)-2,5-oxazolidinedione
Property Insights of 4-(Phenylmethyl)-2,5-oxazolidinedione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Phenylmethyl)-2,5-oxazolidinedione. With a topological polar surface area (TPSA) of 55.4 Ų, 4-(Phenylmethyl)-2,5-oxazolidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Phenylmethyl)-2,5-oxazolidinedione 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-(Phenylmethyl)-2,5-oxazolidinedione?
The CAS number of 4-(Phenylmethyl)-2,5-oxazolidinedione is 583-47-1.
What is the molecular formula of 4-(Phenylmethyl)-2,5-oxazolidinedione?
The molecular formula of 4-(Phenylmethyl)-2,5-oxazolidinedione is C10H9NO3.
What is the molecular weight of 4-(Phenylmethyl)-2,5-oxazolidinedione?
The molecular weight of 4-(Phenylmethyl)-2,5-oxazolidinedione is 191.06 g/mol.
Where can I buy 4-(Phenylmethyl)-2,5-oxazolidinedione?
You can request a quote for 4-(Phenylmethyl)-2,5-oxazolidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Phenylmethyl)-2,5-oxazolidinedione?
Yes, KEHONG BIO provides custom synthesis services for 4-(Phenylmethyl)-2,5-oxazolidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.