6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one
TL;DR: 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one (CAS 106578-04-5) is a chemical compound with molecular formula C13H8ClNO2S and molecular weight 277.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
Also Known As: 6-chloro-3-(2-methylthiazol-4-yl)-2H-chromen-2-one, 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one, 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one
| Molecular Formula | C13H8ClNO2S |
|---|---|
| Molecular Weight | 277.00 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.99643 |
| Heavy Atoms | 18 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 106578-04-5 |
|---|---|
| SMILES | CC1=NC(=CS1)C2=CC3=C(C=CC(=C3)Cl)OC2=O |
| InChIKey | GTWZRQMABNLQKU-UHFFFAOYSA-N |
Product Overview
6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one (CAS 106578-04-5), with molecular formula C13H8ClNO2S and molecular weight 277.00 g/mol. IUPAC: 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one.
Chemical Property Profile of 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one
Property Insights of 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one
The XLogP value of 3.6 indicates that 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one. Following Lipinski's Rule of Five, 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one has 0 hydrogen bond donor(s) and 4 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-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one?
The CAS number of 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one is 106578-04-5.
What is the molecular formula of 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one?
The molecular formula of 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one is C13H8ClNO2S.
What is the molecular weight of 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one?
The molecular weight of 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one is 277.00 g/mol.
Where can I buy 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one?
You can request a quote for 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-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 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-3-(2-methyl-1,3-thiazol-4-yl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.