![2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione structure](/static/products/4133/41335-63-1.webp)
2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione
TL;DR: 2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione (CAS 41335-63-1) is a chemical compound with molecular formula C16H13NO4S and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methylphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: Maybridge3_002911, IDI1_014298, 2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione, 2-[2-(4-methylphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one, 2-[2-(4-methylphenyl)-2-oxoethyl]-2,3-dihydro-1
| Molecular Formula | C16H13NO4S |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 2.02242 |
| Topological Polar Surface Area | 71.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.05652 |
| Heavy Atoms | 22 |
| Complexity | 869.27374 |
Chemical Identifiers
| CAS Number | 41335-63-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione (CAS 41335-63-1), with molecular formula C16H13NO4S and molecular weight 315.06 g/mol. IUPAC: 2-[2-(4-methylphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione
Property Insights of 2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione
The XLogP value of 2.02242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione. The TPSA of 71.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione. Following Lipinski's Rule of Five, 2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione has 0 hydrogen bond donor(s) and 4 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 2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
The CAS number of 2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione is 41335-63-1.
What is the molecular formula of 2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
The molecular formula of 2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione is C16H13NO4S.
What is the molecular weight of 2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
The molecular weight of 2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione is 315.06 g/mol.
Where can I buy 2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
You can request a quote for 2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-methylphenyl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.