3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one
TL;DR: 3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one (CAS 796877-75-3) is a chemical compound with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one
Also Known As: 3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one, 3-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one, 3-{[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino}-6,7-dimethoxy-2-benzofuran-1(3H)-one
| Molecular Formula | C21H20N2O5S |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 4.5071 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.10928 |
| Heavy Atoms | 29 |
| Complexity | 1032.0508 |
Chemical Identifiers
| CAS Number | 796877-75-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=CSC(=N2)NC3C4=C(C(=C(C=C4)OC)OC)C(=O)O3 |
Product Overview
3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one (CAS 796877-75-3), with molecular formula C21H20N2O5S and molecular weight 412.11 g/mol. IUPAC: 3-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one
Property Insights of 3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one
The XLogP value of 4.5071 indicates that 3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one. Following Lipinski's Rule of Five, 3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one has 1 hydrogen bond donor(s) and 8 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-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
The CAS number of 3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one is 796877-75-3.
What is the molecular formula of 3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
The molecular formula of 3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one is C21H20N2O5S.
What is the molecular weight of 3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
The molecular weight of 3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one is 412.11 g/mol.
Where can I buy 3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
You can request a quote for 3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-(4-ethoxyphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.