2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide
TL;DR: 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS 129225-98-5) is a chemical compound with molecular formula C14H10FNO3S and molecular weight 291.03653 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide, (4-Fluorobenzyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, 2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one, 2-[(4-fluorophenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
Technical Specifications
| Molecular Formula | C14H10FNO3S |
| Molecular Weight | 291.03653 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.03653 Da |
| Heavy Atoms | 20 |
| Complexity | 479.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC3=CC=C(C=C3)F |
| InChIKey | AEXZCDSGHARLRD-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide
Property Insights of 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide. Following Lipinski's Rule of Five, 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide 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
What is the CAS number of 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The CAS number of 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide is 129225-98-5.
What is the molecular formula of 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The molecular formula of 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide is C14H10FNO3S.
What is the molecular weight of 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
The molecular weight of 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide is 291.03653 g/mol.
Where can I buy 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
You can request a quote for 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide?
Yes, CoreyChem provides custom synthesis services for 2-(4-fluorobenzyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.