3-((4-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one
TL;DR: 3-((4-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one (CAS 374759-58-7) is a chemical compound with molecular formula C19H21NO4 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-3-(4-propan-2-ylanilino)-3H-2-benzofuran-1-one
Also Known As: 3-((4-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one, 6,7-dimethoxy-3-(4-propan-2-ylanilino)-3H-2-benzofuran-1-one, 6,7-dimethoxy-3-{[4-(propan-2-yl)phenyl]amino}-2-benzofuran-1(3H)-one
| Molecular Formula | C19H21NO4 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 4.1083 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.14706 |
| Heavy Atoms | 24 |
| Complexity | 752.7073 |
Chemical Identifiers
| CAS Number | 374759-58-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2 |
Product Overview
3-((4-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one (CAS 374759-58-7), with molecular formula C19H21NO4 and molecular weight 327.15 g/mol. IUPAC: 6,7-dimethoxy-3-(4-propan-2-ylanilino)-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-((4-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one
Property Insights of 3-((4-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one
The XLogP value of 4.1083 indicates that 3-((4-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, 3-((4-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one has 1 hydrogen bond donor(s) and 5 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-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
The CAS number of 3-((4-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one is 374759-58-7.
What is the molecular formula of 3-((4-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
The molecular formula of 3-((4-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one is C19H21NO4.
What is the molecular weight of 3-((4-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
The molecular weight of 3-((4-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one is 327.15 g/mol.
Where can I buy 3-((4-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
You can request a quote for 3-((4-isopropylphenyl)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-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-isopropylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.