2-(1H-imidazol-1-ylmethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione
TL;DR: 2-(1H-imidazol-1-ylmethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione (CAS 150810-16-5) is a chemical compound with molecular formula C11H9N3O3S and molecular weight 263.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(imidazol-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 2-(1H-imidazol-1-ylmethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione, 2-(imidazol-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one, 2-(imidazol-1-ylmethyl)-1??,2-benzothiazole-1,1,3-trione, 2-[(1H-imidazol-1-yl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione, 1,2-Benzisothiazol-3(2H)-one, 2-(1H-imidazol-1-ylmethyl)-, 1,1-dioxide
| Molecular Formula | C11H9N3O3S |
|---|---|
| Molecular Weight | 263.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.03647 |
| Heavy Atoms | 18 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 150810-16-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CN3C=CN=C3 |
| InChIKey | ABIIOMYIWMWZOX-UHFFFAOYSA-N |
Product Overview
2-(1H-imidazol-1-ylmethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione (CAS 150810-16-5), with molecular formula C11H9N3O3S and molecular weight 263.04 g/mol. IUPAC: 2-(imidazol-1-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-(1H-imidazol-1-ylmethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione
Property Insights of 2-(1H-imidazol-1-ylmethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-imidazol-1-ylmethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-imidazol-1-ylmethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione. Following Lipinski's Rule of Five, 2-(1H-imidazol-1-ylmethyl)-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-(1H-imidazol-1-ylmethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
The CAS number of 2-(1H-imidazol-1-ylmethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione is 150810-16-5.
What is the molecular formula of 2-(1H-imidazol-1-ylmethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
The molecular formula of 2-(1H-imidazol-1-ylmethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione is C11H9N3O3S.
What is the molecular weight of 2-(1H-imidazol-1-ylmethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
The molecular weight of 2-(1H-imidazol-1-ylmethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione is 263.04 g/mol.
Where can I buy 2-(1H-imidazol-1-ylmethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
You can request a quote for 2-(1H-imidazol-1-ylmethyl)-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-(1H-imidazol-1-ylmethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-imidazol-1-ylmethyl)-1H-1,2-benzisothiazole-1,1,3(2H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.