![2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide structure](/static/products/879/879740-78-0.png)
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide
TL;DR: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS 879740-78-0) is a chemical compound with molecular formula C17H15NO6S and molecular weight 361.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione, 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide, 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
| Molecular Formula | C17H15NO6S |
|---|---|
| Molecular Weight | 361.06 g/mol |
| LogP | 1.7312 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.062 |
| Heavy Atoms | 25 |
| Complexity | 966.8534 |
Chemical Identifiers
| CAS Number | 879740-78-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)OC |
Product Overview
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS 879740-78-0), with molecular formula C17H15NO6S and molecular weight 361.06 g/mol. IUPAC: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide
Property Insights of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide
The XLogP value of 1.7312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide. Following Lipinski's Rule of Five, 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide has 0 hydrogen bond donor(s) and 6 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-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The CAS number of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide is 879740-78-0.
What is the molecular formula of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The molecular formula of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide is C17H15NO6S.
What is the molecular weight of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The molecular weight of 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide is 361.06 g/mol.
Where can I buy 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
You can request a quote for 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 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 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.