![Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate structure](/static/products/158/158093-90-4.webp)
Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate
TL;DR: Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate (CAS 158093-90-4) is a chemical compound with molecular formula C14H10N2O3S and molecular weight 286.0412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate
Also Known As: Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate, Methyl 4-(9-oxo-7-thia-5,8-diazabicyclo[4.3.0]nona-2,4,10-trien-8-yl)benzoate
Technical Specifications
| Molecular Formula | C14H10N2O3S |
| Molecular Weight | 286.0412 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 84.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.0412 Da |
| Heavy Atoms | 20 |
| Complexity | 396.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC=C3 |
| InChIKey | FHGBBPCSVBYELO-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate
Property Insights of Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate. The TPSA of 84.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate 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
What is the CAS number of Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate?
The CAS number of Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate is 158093-90-4.
What is the molecular formula of Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate?
The molecular formula of Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate is C14H10N2O3S.
What is the molecular weight of Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate?
The molecular weight of Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate is 286.0412 g/mol.
Where can I buy Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate?
You can request a quote for Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3h)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.