![2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one structure](/static/products/874/874591-33-0.png)
2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
TL;DR: 2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one (CAS 874591-33-0) is a chemical compound with molecular formula C14H10N2O5S and molecular weight 318.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 2-[(2-nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one, 2-(2-nitrobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide, 2-(2-nitrobenzyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide, 2-(2-nitrobenzyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, 2-[(2-Nitrophenyl)methyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
| Molecular Formula | C14H10N2O5S |
|---|---|
| Molecular Weight | 318.03 g/mol |
| LogP | 1.9395 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.03104 |
| Heavy Atoms | 22 |
| Complexity | 891.61115 |
Chemical Identifiers
| CAS Number | 874591-33-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)[N+](=O)[O-] |
Product Overview
2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one (CAS 874591-33-0), with molecular formula C14H10N2O5S and molecular weight 318.03 g/mol. IUPAC: 2-[(2-nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
Property Insights of 2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
The XLogP value of 1.9395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one. Following Lipinski's Rule of Five, 2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one has 0 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 2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The CAS number of 2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one is 874591-33-0.
What is the molecular formula of 2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular formula of 2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one is C14H10N2O5S.
What is the molecular weight of 2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular weight of 2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one is 318.03 g/mol.
Where can I buy 2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
You can request a quote for 2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.