1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo-
TL;DR: 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo- (CAS 622355-37-7) is a chemical compound with molecular formula C14H10N2O3S and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide
Also Known As: 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo-, F1470-0133, N-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide, N-(5-methylisoxazol-3-yl)-1-oxo-1H-isothiochromene-3-carboxamide, N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-1H-isothiochromene-3-carboxamide
| Molecular Formula | C14H10N2O3S |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 97.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.0412 |
| Heavy Atoms | 20 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 622355-37-7 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)C2=CC3=CC=CC=C3C(=O)S2 |
| InChIKey | HQDQPHGBQIPTCG-UHFFFAOYSA-N |
Product Overview
1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo- (CAS 622355-37-7), with molecular formula C14H10N2O3S and molecular weight 286.04 g/mol. IUPAC: N-(5-methyl-1,2-oxazol-3-yl)-1-oxoisothiochromene-3-carboxamide.
Chemical Property Profile of 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo-
Property Insights of 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo-. The TPSA of 97.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo-. Following Lipinski's Rule of Five, 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo- has 1 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 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo-?
The CAS number of 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo- is 622355-37-7.
What is the molecular formula of 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo-?
The molecular formula of 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo- is C14H10N2O3S.
What is the molecular weight of 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo-?
The molecular weight of 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo- is 286.04 g/mol.
Where can I buy 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo-?
You can request a quote for 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.