N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine
TL;DR: N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine (CAS 6065-55-0) is a chemical compound with molecular formula C13H8BrN3O4S and molecular weight 380.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine
Also Known As: N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine, BIM-0007332.P001, N-(4-bromophenyl)-6-nitro-1,2-benzothiazol-3-amine 1,1-dioxide, 3-[(4-bromophenyl)amino]-6-nitro-1lambda,2-benzothiazole-1,1-dione, 3-[(4-BROMOPHENYL)AMINO]-6-NITRO-1??,2-BENZOTHIAZOLE-1,1-DIONE
| Molecular Formula | C13H8BrN3O4S |
|---|---|
| Molecular Weight | 380.94 g/mol |
| LogP | 2.9183 |
| Topological Polar Surface Area | 101.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.9419 |
| Heavy Atoms | 22 |
| Complexity | 907.3825 |
Chemical Identifiers
| CAS Number | 6065-55-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-])Br |
Product Overview
N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine (CAS 6065-55-0), with molecular formula C13H8BrN3O4S and molecular weight 380.94 g/mol. IUPAC: N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine.
Chemical Property Profile of N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine
Property Insights of N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine
The XLogP value of 2.9183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine. The TPSA of 101.67 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine. Following Lipinski's Rule of Five, N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine has 1 hydrogen bond donor(s) and 5 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-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine?
The CAS number of N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine is 6065-55-0.
What is the molecular formula of N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine?
The molecular formula of N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine is C13H8BrN3O4S.
What is the molecular weight of N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine?
The molecular weight of N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine is 380.94 g/mol.
Where can I buy N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine?
You can request a quote for N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.