N-(4-iodo-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide
TL;DR: N-(4-iodo-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide (CAS 428853-14-9) is a chemical compound with molecular formula C14H11IN2O2S and molecular weight 397.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-iodo-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Also Known As: 3-[(4-iodo-2-methylphenyl)amino]benzo[d]1,2-thiazoline-1,1-dione, N-(4-iodo-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine, N-(4-iodo-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide, 3-[(4-IODO-2-METHYLPHENYL)AMINO]-1??,2-BENZOTHIAZOLE-1,1-DIONE
| Molecular Formula | C14H11IN2O2S |
|---|---|
| Molecular Weight | 397.96 g/mol |
| LogP | 3.16062 |
| Topological Polar Surface Area | 58.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 397.9586 |
| Heavy Atoms | 20 |
| Complexity | 828.81757 |
Chemical Identifiers
| CAS Number | 428853-14-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)I)NC2=NS(=O)(=O)C3=CC=CC=C32 |
Product Overview
N-(4-iodo-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide (CAS 428853-14-9), with molecular formula C14H11IN2O2S and molecular weight 397.96 g/mol. IUPAC: N-(4-iodo-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.
Chemical Property Profile of N-(4-iodo-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide
Property Insights of N-(4-iodo-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide
The XLogP value of 3.16062 indicates that N-(4-iodo-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide 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-(4-iodo-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-iodo-2-methylphenyl)-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-(4-iodo-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The CAS number of N-(4-iodo-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide is 428853-14-9.
What is the molecular formula of N-(4-iodo-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The molecular formula of N-(4-iodo-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide is C14H11IN2O2S.
What is the molecular weight of N-(4-iodo-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
The molecular weight of N-(4-iodo-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide is 397.96 g/mol.
Where can I buy N-(4-iodo-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
You can request a quote for N-(4-iodo-2-methylphenyl)-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-iodo-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-iodo-2-methylphenyl)-1,2-benzothiazol-3-amine 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.