3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide
TL;DR: 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide (CAS 720671-49-8) is a chemical compound with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide
Also Known As: BAS 09687638, 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide, 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-1H-isochromene-3-carboxamide, 3-methyl-1-oxo-N-(thiazol-2-yl)isochroman-3-carboxamide, 3-Methyl-1-oxo-isochroman-3-carboxylic acid thiazol-2-ylamide
| Molecular Formula | C14H12N2O3S |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 2.2534 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.05685 |
| Heavy Atoms | 20 |
| Complexity | 668.81836 |
Chemical Identifiers
| CAS Number | 720671-49-8 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NC=CS3 |
Product Overview
3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide (CAS 720671-49-8), with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol. IUPAC: 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide.
Chemical Property Profile of 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide
Property Insights of 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide
The XLogP value of 2.2534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide. Following Lipinski's Rule of Five, 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide 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 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide?
The CAS number of 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide is 720671-49-8.
What is the molecular formula of 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide?
The molecular formula of 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide is C14H12N2O3S.
What is the molecular weight of 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide?
The molecular weight of 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide is 288.06 g/mol.
Where can I buy 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide?
You can request a quote for 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.