N-Phenylmaleisoimide
TL;DR: N-Phenylmaleisoimide (CAS 77987-52-1) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2H-1,2-oxazol-5-one
Also Known As: 3-Phenyl-5-isoxazolone, 3-Phenylisoxazol-5(2H)-one, 3-Phenylisoxazol-5-ol, 5-Hydroxy-3-phenylisoxazole, 5-Isoxazolol, 3-phenyl-
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 77987-52-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=O)ON2 |
| InChIKey | JJZNCUHIYJBAMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Phenylmaleisoimide (CAS 77987-52-1), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 3-phenyl-2H-1,2-oxazol-5-one.
Chemical Property Profile of N-Phenylmaleisoimide
Property Insights of N-Phenylmaleisoimide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Phenylmaleisoimide. With a topological polar surface area (TPSA) of 38.3 Ų, N-Phenylmaleisoimide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Phenylmaleisoimide 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 N-Phenylmaleisoimide?
The CAS number of N-Phenylmaleisoimide is 77987-52-1.
What is the molecular formula of N-Phenylmaleisoimide?
The molecular formula of N-Phenylmaleisoimide is C9H7NO2.
What is the molecular weight of N-Phenylmaleisoimide?
The molecular weight of N-Phenylmaleisoimide is 161.05 g/mol.
Where can I buy N-Phenylmaleisoimide?
You can request a quote for N-Phenylmaleisoimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Phenylmaleisoimide?
Yes, KEHONG BIO provides custom synthesis services for N-Phenylmaleisoimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.