![2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione structure](/static/products/4133/41335-46-0.webp)
2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
TL;DR: 2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione (CAS 41335-46-0) 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-[(4-nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: N-(p-Nitrobenzyl)saccharin, 2-[(4-nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione, 2-[(4-nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
| 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 | 874.36115 |
Chemical Identifiers
| CAS Number | 41335-46-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione (CAS 41335-46-0), with molecular formula C14H10N2O5S and molecular weight 318.03 g/mol. IUPAC: 2-[(4-nitrophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
Property Insights of 2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
The XLogP value of 1.9395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione. Following Lipinski's Rule of Five, 2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione 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-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
The CAS number of 2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione is 41335-46-0.
What is the molecular formula of 2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
The molecular formula of 2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione is C14H10N2O5S.
What is the molecular weight of 2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
The molecular weight of 2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione is 318.03 g/mol.
Where can I buy 2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
You can request a quote for 2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Nitrophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.