3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one
TL;DR: 3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one (CAS 313497-22-2) is a chemical compound with molecular formula C13H8N2O4S and molecular weight 288.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methyl-1,3-thiazol-4-yl)-6-nitrochromen-2-one
Also Known As: 3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one, NCI60_030571, 3-(2-methyl-1,3-thiazol-4-yl)-6-nitrochromen-2-one, 3-(2-methylthiazol-4-yl)-6-nitro-chromen-2-one, AE-848/32009035
| Molecular Formula | C13H8N2O4S |
|---|---|
| Molecular Weight | 288.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.02048 |
| Heavy Atoms | 20 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 313497-22-2 |
|---|---|
| SMILES | CC1=NC(=CS1)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O |
| InChIKey | GLWXFKNNQNFRQB-UHFFFAOYSA-N |
Product Overview
3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one (CAS 313497-22-2), with molecular formula C13H8N2O4S and molecular weight 288.02 g/mol. IUPAC: 3-(2-methyl-1,3-thiazol-4-yl)-6-nitrochromen-2-one.
Chemical Property Profile of 3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one
Property Insights of 3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one has 0 hydrogen bond donor(s) and 6 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-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one?
The CAS number of 3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one is 313497-22-2.
What is the molecular formula of 3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one?
The molecular formula of 3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one is C13H8N2O4S.
What is the molecular weight of 3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one?
The molecular weight of 3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one is 288.02 g/mol.
Where can I buy 3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one?
You can request a quote for 3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methyl-1,3-thiazol-4-yl)-6-nitro-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.