6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one
TL;DR: 6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one (CAS 896815-98-8) is a chemical compound with molecular formula C22H15BrN2O6S and molecular weight 513.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-[2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one
Also Known As: 6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one, 6-Bromo-3-[2-(4,5-dimethoxy-3-oxo-1,3-dihydro-isobenzofuran-1-ylamino)-thiazol-4-yl]-chromen-2-one, 6-bromo-3-[2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one, 6-bromo-3-[2-[(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one, 6-bromo-3-{2-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl}-2H-chromen-2-one
| Molecular Formula | C22H15BrN2O6S |
|---|---|
| Molecular Weight | 513.98 g/mol |
| LogP | 4.9773 |
| Topological Polar Surface Area | 99.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.9834 |
| Heavy Atoms | 32 |
| Complexity | 1429.9563 |
Chemical Identifiers
| CAS Number | 896815-98-8 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC(=CS3)C4=CC5=C(C=CC(=C5)Br)OC4=O)OC |
Product Overview
6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one (CAS 896815-98-8), with molecular formula C22H15BrN2O6S and molecular weight 513.98 g/mol. IUPAC: 6-bromo-3-[2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one.
Chemical Property Profile of 6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one
Property Insights of 6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one
The XLogP value of 4.9773 indicates that 6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one. Following Lipinski's Rule of Five, 6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one?
The CAS number of 6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one is 896815-98-8.
What is the molecular formula of 6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one?
The molecular formula of 6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one is C22H15BrN2O6S.
What is the molecular weight of 6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one?
The molecular weight of 6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one is 513.98 g/mol.
Where can I buy 6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one?
You can request a quote for 6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)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-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.