3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one
TL;DR: 3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one (CAS 799770-77-7) is a chemical compound with molecular formula C22H15N3O8S and molecular weight 481.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]-6-nitrochromen-2-one
Also Known As: 3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one, 3-[2-(4,5-Dimethoxy-3-oxo-1,3-dihydro-isobenzofuran-1-ylamino)-thiazol-4-yl]-6-nitro-chromen-2-one, 3-[2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]-6-nitrochromen-2-one, 3-[2-[(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)amino]-1,3-thiazol-4-yl]-6-nitro-chromen-2-one, 3-{2-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl}-6-nitro-2H-chromen-2-one
| Molecular Formula | C22H15N3O8S |
|---|---|
| Molecular Weight | 481.06 g/mol |
| LogP | 4.123 |
| Topological Polar Surface Area | 143.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.05798 |
| Heavy Atoms | 34 |
| Complexity | 1526.606 |
Chemical Identifiers
| CAS Number | 799770-77-7 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC(=CS3)C4=CC5=C(C=CC(=C5)[N+](=O)[O-])OC4=O)OC |
Product Overview
3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one (CAS 799770-77-7), with molecular formula C22H15N3O8S and molecular weight 481.06 g/mol. IUPAC: 3-[2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]-6-nitrochromen-2-one.
Chemical Property Profile of 3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one
Property Insights of 3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one
The XLogP value of 4.123 indicates that 3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.03 Ų indicates high polarity, suggesting 3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one?
The CAS number of 3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one is 799770-77-7.
What is the molecular formula of 3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one?
The molecular formula of 3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one is C22H15N3O8S.
What is the molecular weight of 3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one?
The molecular weight of 3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one is 481.06 g/mol.
Where can I buy 3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one?
You can request a quote for 3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)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-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)thiazol-4-yl)-6-nitro-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.