![3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one structure](/static/products/796/796879-91-9.png)
3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one
TL;DR: 3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one (CAS 796879-91-9) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dimethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
Also Known As: 3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one, 3-(2,6-dimethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one, 3-((2,6-dimethylphenyl)amino)-6,7-dimethoxyisobenzofuran-1(3H)-one, 3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-3-hydroisobenzofuran-1-one
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 3.60174 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 749.6072 |
Chemical Identifiers
| CAS Number | 796879-91-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2 |
Product Overview
3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one (CAS 796879-91-9), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: 3-(2,6-dimethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one
Property Insights of 3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one
The XLogP value of 3.60174 indicates that 3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-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-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-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-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one?
The CAS number of 3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one is 796879-91-9.
What is the molecular formula of 3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one?
The molecular formula of 3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one is C18H19NO4.
What is the molecular weight of 3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one?
The molecular weight of 3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one is 313.13 g/mol.
Where can I buy 3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one?
You can request a quote for 3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-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-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,6-dimethylphenyl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.