N-Phenylsaccharin
TL;DR: N-Phenylsaccharin (CAS 15496-31-8) is a chemical compound with molecular formula C13H9NO3S and molecular weight 259.0303 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dioxo-2-phenyl-1,2-benzothiazol-3-one
Also Known As: N-Phenylsaccharin, 1,2-phenyl-,1,1-dioxide, 1, 2-phenyl-,1,1-dioxide, 1, 2-phenyl-, 1,1-dioxide, 1,1-dioxo-2-phenyl-1,2-benzothiazol-3-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H9NO3S |
| Molecular Weight | 259.0303 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.0303 Da |
| Heavy Atoms | 18 |
| Complexity | 434.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2(=O)=O |
| InChIKey | BPCIWMIPHVSEJO-UHFFFAOYSA-N |
Chemical Property Profile of N-Phenylsaccharin
Property Insights of N-Phenylsaccharin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Phenylsaccharin. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Phenylsaccharin. Following Lipinski's Rule of Five, N-Phenylsaccharin 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 N-Phenylsaccharin?
The CAS number of N-Phenylsaccharin is 15496-31-8.
What is the molecular formula of N-Phenylsaccharin?
The molecular formula of N-Phenylsaccharin is C13H9NO3S.
What is the molecular weight of N-Phenylsaccharin?
The molecular weight of N-Phenylsaccharin is 259.0303 g/mol.
Where can I buy N-Phenylsaccharin?
You can request a quote for N-Phenylsaccharin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Phenylsaccharin?
Yes, CoreyChem provides custom synthesis services for N-Phenylsaccharin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.