N-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
TL;DR: N-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CAS 823830-83-7) is a chemical compound with molecular formula C14H11ClN2O2S and molecular weight 306.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Also Known As: N-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine, N-(5-chloro-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide, AP-853/42931448, N-(5-chloro-2-methylphenyl)-N-(1,1-dioxido-1,2-benzisothiazol-3-yl)amine
| Molecular Formula | C14H11ClN2O2S |
|---|---|
| Molecular Weight | 306.02 g/mol |
| LogP | 3.20942 |
| Topological Polar Surface Area | 58.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.02298 |
| Heavy Atoms | 20 |
| Complexity | 828.81757 |
Chemical Identifiers
| CAS Number | 823830-83-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC2=NS(=O)(=O)C3=CC=CC=C32 |
Product Overview
N-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CAS 823830-83-7), with molecular formula C14H11ClN2O2S and molecular weight 306.02 g/mol. IUPAC: N-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.
Chemical Property Profile of N-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Property Insights of N-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
The XLogP value of 3.20942 indicates that N-(5-chloro-2-methylphenyl)-1,1-dioxo-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 58.53 Ų, N-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine 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-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The CAS number of N-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is 823830-83-7.
What is the molecular formula of N-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The molecular formula of N-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is C14H11ClN2O2S.
What is the molecular weight of N-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The molecular weight of N-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is 306.02 g/mol.
Where can I buy N-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
You can request a quote for N-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(5-chloro-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.