![4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate structure](/static/products/3122/312282-32-9.webp)
4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate
TL;DR: 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate (CAS 312282-32-9) is a chemical compound with molecular formula C24H22N2O4S and molecular weight 434.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-methyl-2-propan-2-ylphenyl] benzoate
Also Known As: 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate, [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-methyl-2-propan-2-ylphenyl] benzoate, 4-((1,1-dioxidobenzo[d]isothiazol-3-yl)amino)-2-isopropyl-5-methylphenyl benzoate
| Molecular Formula | C24H22N2O4S |
|---|---|
| Molecular Weight | 434.13 g/mol |
| LogP | 4.89862 |
| Topological Polar Surface Area | 84.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.13004 |
| Heavy Atoms | 31 |
| Complexity | 1296.4095 |
Chemical Identifiers
| CAS Number | 312282-32-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1NC2=NS(=O)(=O)C3=CC=CC=C32)C(C)C)OC(=O)C4=CC=CC=C4 |
Product Overview
4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate (CAS 312282-32-9), with molecular formula C24H22N2O4S and molecular weight 434.13 g/mol. IUPAC: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-5-methyl-2-propan-2-ylphenyl] benzoate.
Chemical Property Profile of 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate
Property Insights of 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate
The XLogP value of 4.89862 indicates that 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate. Following Lipinski's Rule of Five, 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate has 1 hydrogen bond donor(s) and 5 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 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate?
The CAS number of 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate is 312282-32-9.
What is the molecular formula of 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate?
The molecular formula of 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate is C24H22N2O4S.
What is the molecular weight of 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate?
The molecular weight of 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate is 434.13 g/mol.
Where can I buy 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate?
You can request a quote for 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]-5-methyl-2-(propan-2-yl)phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.