N-Bromosaccharin
TL;DR: N-Bromosaccharin (CAS 35812-01-2) is a chemical compound with molecular formula C7H4BrNO3S and molecular weight 260.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: N-Bromosaccharin, NBSA, N-BROMOPYRIDINE, 2-Bromobenzo[d]isothiazol-3(2H)-one 1,1-dioxide, 2-bromo-1,1-dioxo-1,2-benzothiazol-3-one
| Molecular Formula | C7H4BrNO3S |
|---|---|
| Molecular Weight | 260.91 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.90952 |
| Heavy Atoms | 13 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 35812-01-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)Br |
| InChIKey | QRADPXNAURXMSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Bromosaccharin (CAS 35812-01-2), with molecular formula C7H4BrNO3S and molecular weight 260.91 g/mol. IUPAC: 2-bromo-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of N-Bromosaccharin
Property Insights of N-Bromosaccharin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Bromosaccharin. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Bromosaccharin. Following Lipinski's Rule of Five, N-Bromosaccharin 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-Bromosaccharin?
The CAS number of N-Bromosaccharin is 35812-01-2.
What is the molecular formula of N-Bromosaccharin?
The molecular formula of N-Bromosaccharin is C7H4BrNO3S.
What is the molecular weight of N-Bromosaccharin?
The molecular weight of N-Bromosaccharin is 260.91 g/mol.
Where can I buy N-Bromosaccharin?
You can request a quote for N-Bromosaccharin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Bromosaccharin?
Yes, KEHONG BIO provides custom synthesis services for N-Bromosaccharin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.