6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one
TL;DR: 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one (CAS 371219-45-3) is a chemical compound with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one
Also Known As: 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one, 6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one, 6,7-dimethoxy-2-(thiazol-2-yl)isoindolin-1-one, 6,7-dimethoxy-2-(1,3-thiazol-2-yl)isoindolin-1-one, 6,7-DIMETHOXY-2-(1,3-THIAZOL-2-YL)-1-ISOINDOLINONE
| Molecular Formula | C13H12N2O3S |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.05685 |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 371219-45-3 |
|---|---|
| SMILES | COC1=C(C2=C(CN(C2=O)C3=NC=CS3)C=C1)OC |
| InChIKey | UJNTWVLYYAUMHD-UHFFFAOYSA-N |
Product Overview
6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one (CAS 371219-45-3), with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol. IUPAC: 6,7-dimethoxy-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one.
Chemical Property Profile of 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one
Property Insights of 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one. Following Lipinski's Rule of Five, 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one 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 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one?
The CAS number of 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one is 371219-45-3.
What is the molecular formula of 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one?
The molecular formula of 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one is C13H12N2O3S.
What is the molecular weight of 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one?
The molecular weight of 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one is 276.06 g/mol.
Where can I buy 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one?
You can request a quote for 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.