N-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
TL;DR: N-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CAS 702648-98-4) is a chemical compound with molecular formula C13H9IN2O2S and molecular weight 383.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Also Known As: N-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine, N-(4-iodophenyl)-1,2-benzothiazol-3-amine 1,1-dioxide, AP-853/42423554, 3-[(4-iodophenyl)amino]benzo[d]1,2-thiazoline-1,1-dione, 3-[(4-IODOPHENYL)AMINO]-1??,2-BENZOTHIAZOLE-1,1-DIONE
| Molecular Formula | C13H9IN2O2S |
|---|---|
| Molecular Weight | 383.94 g/mol |
| LogP | 2.8522 |
| Topological Polar Surface Area | 58.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 383.94296 |
| Heavy Atoms | 19 |
| Complexity | 767.48517 |
Chemical Identifiers
| CAS Number | 702648-98-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC=C(C=C3)I |
Product Overview
N-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CAS 702648-98-4), with molecular formula C13H9IN2O2S and molecular weight 383.94 g/mol. IUPAC: N-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.
Chemical Property Profile of N-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Property Insights of N-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
The XLogP value of 2.8522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine. With a topological polar surface area (TPSA) of 58.53 Ų, N-(4-iodophenyl)-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-(4-iodophenyl)-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-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The CAS number of N-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is 702648-98-4.
What is the molecular formula of N-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The molecular formula of N-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is C13H9IN2O2S.
What is the molecular weight of N-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The molecular weight of N-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is 383.94 g/mol.
Where can I buy N-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
You can request a quote for N-(4-iodophenyl)-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-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-iodophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.