N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide
TL;DR: N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide (CAS 663199-61-9) is a chemical compound with molecular formula C13H9FN2O2S and molecular weight 276.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Also Known As: BAS 05482455, AM-879/41557959, N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide, N-(4-fluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine, 3-[(4-fluorophenyl)amino]benzo[d]1,2-thiazoline-1,1-dione
| Molecular Formula | C13H9FN2O2S |
|---|---|
| Molecular Weight | 276.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.03687 |
| Heavy Atoms | 19 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 663199-61-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC=C(C=C3)F |
| InChIKey | ZDUHONVYJBSSLT-UHFFFAOYSA-N |
Product Overview
N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide (CAS 663199-61-9), with molecular formula C13H9FN2O2S and molecular weight 276.04 g/mol. IUPAC: N-(4-fluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.
Chemical Property Profile of N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide
Property Insights of N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide. Following Lipinski's Rule of Five, N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide has 1 hydrogen bond donor(s) and 4 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-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The CAS number of N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide is 663199-61-9.
What is the molecular formula of N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The molecular formula of N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide is C13H9FN2O2S.
What is the molecular weight of N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The molecular weight of N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide is 276.04 g/mol.
Where can I buy N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
You can request a quote for N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.