N-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide
TL;DR: N-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide (CAS 130576-49-7) is a chemical compound with molecular formula C17H12N2O2S and molecular weight 308.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-naphthalen-1-yl-1,1-dioxo-1,2-benzothiazol-3-amine
Also Known As: BAS 00398434, 3-(naphthylamino)benzo[d]1,2-thiazole-1,1-dione, BRD-K44531637-001-01-6, N-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide, N-1-naphthyl-1,2-benzisothiazol-3-amine 1,1-dioxide
| Molecular Formula | C17H12N2O2S |
|---|---|
| Molecular Weight | 308.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.06195 |
| Heavy Atoms | 22 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 130576-49-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2NC3=NS(=O)(=O)C4=CC=CC=C43 |
| InChIKey | IOUXCPNAEQZPTA-UHFFFAOYSA-N |
Product Overview
N-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide (CAS 130576-49-7), with molecular formula C17H12N2O2S and molecular weight 308.06 g/mol. IUPAC: N-naphthalen-1-yl-1,1-dioxo-1,2-benzothiazol-3-amine.
Chemical Property Profile of N-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide
Property Insights of N-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide
The XLogP value of 3.3 indicates that N-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide. Following Lipinski's Rule of Five, N-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide has 1 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-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The CAS number of N-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide is 130576-49-7.
What is the molecular formula of N-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The molecular formula of N-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide is C17H12N2O2S.
What is the molecular weight of N-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The molecular weight of N-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide is 308.06 g/mol.
Where can I buy N-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide?
You can request a quote for N-(naphthalen-1-yl)-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-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for N-(naphthalen-1-yl)-1,2-benzothiazol-3-amine 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.