3-((4-(4-isobutylphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one
TL;DR: 3-((4-(4-isobutylphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one (CAS 799770-45-9) is a chemical compound with molecular formula C23H24N2O4S and molecular weight 424.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-3-[[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
Also Known As: 3-((4-(4-isobutylphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one, 6,7-dimethoxy-3-({4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}amino)-2-benzofuran-1(3H)-one, 6,7-dimethoxy-3-[[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one, 6,7-dimethoxy-3-[[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]amino]-3H-isobenzofuran-1-one
| Molecular Formula | C23H24N2O4S |
|---|---|
| Molecular Weight | 424.15 g/mol |
| LogP | 5.3069 |
| Topological Polar Surface Area | 69.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.1457 |
| Heavy Atoms | 30 |
| Complexity | 1059.5651 |
Chemical Identifiers
| CAS Number | 799770-45-9 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)NC3C4=C(C(=C(C=C4)OC)OC)C(=O)O3 |
Product Overview
3-((4-(4-isobutylphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one (CAS 799770-45-9), with molecular formula C23H24N2O4S and molecular weight 424.15 g/mol. IUPAC: 6,7-dimethoxy-3-[[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-((4-(4-isobutylphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one
Property Insights of 3-((4-(4-isobutylphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one
The XLogP value of 5.3069 indicates that 3-((4-(4-isobutylphenyl)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 69.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-(4-isobutylphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one. Following Lipinski's Rule of Five, 3-((4-(4-isobutylphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((4-(4-isobutylphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
The CAS number of 3-((4-(4-isobutylphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one is 799770-45-9.
What is the molecular formula of 3-((4-(4-isobutylphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
The molecular formula of 3-((4-(4-isobutylphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one is C23H24N2O4S.
What is the molecular weight of 3-((4-(4-isobutylphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
The molecular weight of 3-((4-(4-isobutylphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one is 424.15 g/mol.
Where can I buy 3-((4-(4-isobutylphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
You can request a quote for 3-((4-(4-isobutylphenyl)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-isobutylphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-(4-isobutylphenyl)thiazol-2-yl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.