1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine
TL;DR: 1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine (CAS 693831-63-9) is a chemical compound with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine
Also Known As: 1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine, AP-853/41808442, N-phenyl-N-propyl-1,2-benzothiazol-3-amine 1,1-dioxide, N-(1,1-dioxido-1,2-benzisothiazol-3-yl)-N-phenyl-N-propylamine
| Molecular Formula | C16H16N2O2S |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 3.0521 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.09326 |
| Heavy Atoms | 21 |
| Complexity | 782.9341 |
Chemical Identifiers
| CAS Number | 693831-63-9 |
|---|---|
| SMILES | CCCN(C1=CC=CC=C1)C2=NS(=O)(=O)C3=CC=CC=C32 |
Product Overview
1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine (CAS 693831-63-9), with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol. IUPAC: 1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine.
Chemical Property Profile of 1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine
Property Insights of 1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine
The XLogP value of 3.0521 indicates that 1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.74 Ų, 1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine 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 1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine?
The CAS number of 1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine is 693831-63-9.
What is the molecular formula of 1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine?
The molecular formula of 1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine is C16H16N2O2S.
What is the molecular weight of 1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine?
The molecular weight of 1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine is 300.09 g/mol.
Where can I buy 1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine?
You can request a quote for 1,1-dioxo-N-phenyl-N-propyl-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 1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 1,1-dioxo-N-phenyl-N-propyl-1,2-benzothiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.