![2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one structure](/static/products/1048/104857-29-6.webp)
2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one
TL;DR: 2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one (CAS 104857-29-6) is a chemical compound with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
Also Known As: NCI60_033869, 2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one, 2-(4-methoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one, 2-(4-methoxyphenyl)isothiazolo[5,4-b]pyridin-3-one, 2-(4-methoxyphenyl)-Isothiazolo[5,4-b]pyridin-3(2H)-one
| Molecular Formula | C13H10N2O2S |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0463 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 104857-29-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC=C3 |
| InChIKey | AZVIMHSUSDTTCB-UHFFFAOYSA-N |
Product Overview
2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one (CAS 104857-29-6), with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol. IUPAC: 2-(4-methoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one.
Chemical Property Profile of 2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one
Property Insights of 2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 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-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one?
The CAS number of 2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one is 104857-29-6.
What is the molecular formula of 2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one?
The molecular formula of 2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one is C13H10N2O2S.
What is the molecular weight of 2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one?
The molecular weight of 2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one is 258.05 g/mol.
Where can I buy 2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one?
You can request a quote for 2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.