3-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one
TL;DR: 3-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one (CAS 376382-80-8) is a chemical compound with molecular formula C18H19NO6 and molecular weight 345.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
Also Known As: 3-(3,4-dimethoxyanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one, 3-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one, 3-[(3,4-dimethoxyphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one
| Molecular Formula | C18H19NO6 |
|---|---|
| Molecular Weight | 345.12 g/mol |
| LogP | 3.0021 |
| Topological Polar Surface Area | 75.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.12125 |
| Heavy Atoms | 25 |
| Complexity | 804.39355 |
Chemical Identifiers
| CAS Number | 376382-80-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2)OC |
Product Overview
3-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one (CAS 376382-80-8), with molecular formula C18H19NO6 and molecular weight 345.12 g/mol. IUPAC: 3-(3,4-dimethoxyanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one
Property Insights of 3-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one
The XLogP value of 3.0021 indicates that 3-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one. Following Lipinski's Rule of Five, 3-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one has 1 hydrogen bond donor(s) and 7 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-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
The CAS number of 3-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one is 376382-80-8.
What is the molecular formula of 3-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
The molecular formula of 3-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one is C18H19NO6.
What is the molecular weight of 3-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
The molecular weight of 3-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one is 345.12 g/mol.
Where can I buy 3-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
You can request a quote for 3-((3,4-dimethoxyphenyl)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-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((3,4-dimethoxyphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.