N-Benzylsaccharin
TL;DR: N-Benzylsaccharin (CAS 3416-59-9) is a chemical compound with molecular formula C14H11NO3S and molecular weight 273.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: N-Benzylsaccharin, n-benzyl saccharin, N-(Phenylmethyl)saccharin, ChemDiv1_003368, 2-Benzylbenzo[d]isothiazol-3(2H)-one 1,1-dioxide
| Molecular Formula | C14H11NO3S |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.04596 |
| Heavy Atoms | 19 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 3416-59-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
| InChIKey | JLGPMOJYECOCEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzylsaccharin (CAS 3416-59-9), with molecular formula C14H11NO3S and molecular weight 273.05 g/mol. IUPAC: 2-benzyl-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of N-Benzylsaccharin
Property Insights of N-Benzylsaccharin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzylsaccharin. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzylsaccharin. Following Lipinski's Rule of Five, N-Benzylsaccharin 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
Frequently Asked Questions
What is the CAS number of N-Benzylsaccharin?
The CAS number of N-Benzylsaccharin is 3416-59-9.
What is the molecular formula of N-Benzylsaccharin?
The molecular formula of N-Benzylsaccharin is C14H11NO3S.
What is the molecular weight of N-Benzylsaccharin?
The molecular weight of N-Benzylsaccharin is 273.05 g/mol.
Where can I buy N-Benzylsaccharin?
You can request a quote for N-Benzylsaccharin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzylsaccharin?
Yes, KEHONG BIO provides custom synthesis services for N-Benzylsaccharin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.