4-Isothiazolol, 3-phenyl-, acetate (ester)
TL;DR: 4-Isothiazolol, 3-phenyl-, acetate (ester) (CAS 20459-06-7) is a chemical compound with molecular formula C11H9NO2S and molecular weight 219.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenyl-1,2-thiazol-4-yl) acetate
Also Known As: 3-Phenyl-4-acetoxyisothiazole, 3-Phenylisothiazol-4-olacetate, 3-phenylisothiazol-4-yl acetate, 3-Phenyl-4-isothiazolyl acetate, 3-Phenylisothiazol-4-ol acetate
| Molecular Formula | C11H9NO2S |
|---|---|
| Molecular Weight | 219.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.0354 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 20459-06-7 |
|---|---|
| SMILES | CC(=O)OC1=CSN=C1C2=CC=CC=C2 |
| InChIKey | GJGZLCCNDLHYEU-UHFFFAOYSA-N |
Product Overview
4-Isothiazolol, 3-phenyl-, acetate (ester) (CAS 20459-06-7), with molecular formula C11H9NO2S and molecular weight 219.04 g/mol. IUPAC: (3-phenyl-1,2-thiazol-4-yl) acetate.
Chemical Property Profile of 4-Isothiazolol, 3-phenyl-, acetate (ester)
Property Insights of 4-Isothiazolol, 3-phenyl-, acetate (ester)
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isothiazolol, 3-phenyl-, acetate (ester). The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isothiazolol, 3-phenyl-, acetate (ester). Following Lipinski's Rule of Five, 4-Isothiazolol, 3-phenyl-, acetate (ester) 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 4-Isothiazolol, 3-phenyl-, acetate (ester)?
The CAS number of 4-Isothiazolol, 3-phenyl-, acetate (ester) is 20459-06-7.
What is the molecular formula of 4-Isothiazolol, 3-phenyl-, acetate (ester)?
The molecular formula of 4-Isothiazolol, 3-phenyl-, acetate (ester) is C11H9NO2S.
What is the molecular weight of 4-Isothiazolol, 3-phenyl-, acetate (ester)?
The molecular weight of 4-Isothiazolol, 3-phenyl-, acetate (ester) is 219.04 g/mol.
Where can I buy 4-Isothiazolol, 3-phenyl-, acetate (ester)?
You can request a quote for 4-Isothiazolol, 3-phenyl-, acetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isothiazolol, 3-phenyl-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 4-Isothiazolol, 3-phenyl-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.