![3-[(2,6-dimethylphenyl)amino]-2-benzofuran-1(3H)-one structure](/static/products/429/42974-45-8.png)
3-[(2,6-dimethylphenyl)amino]-2-benzofuran-1(3H)-one
TL;DR: 3-[(2,6-dimethylphenyl)amino]-2-benzofuran-1(3H)-one (CAS 42974-45-8) is a chemical compound with molecular formula C16H15NO2 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dimethylanilino)-3H-2-benzofuran-1-one
Also Known As: ChemDiv3_004509, IDI1_022419, 3-(2,6-dimethylanilino)-3H-2-benzofuran-1-one, BRD-A40709100-001-01-2, 3-((2,6-dimethylphenyl)amino)isobenzofuran-1(3H)-one
| Molecular Formula | C16H15NO2 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 3.58454 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.11028 |
| Heavy Atoms | 19 |
| Complexity | 628.6972 |
Chemical Identifiers
| CAS Number | 42974-45-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC2C3=CC=CC=C3C(=O)O2 |
Product Overview
3-[(2,6-dimethylphenyl)amino]-2-benzofuran-1(3H)-one (CAS 42974-45-8), with molecular formula C16H15NO2 and molecular weight 253.11 g/mol. IUPAC: 3-(2,6-dimethylanilino)-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-[(2,6-dimethylphenyl)amino]-2-benzofuran-1(3H)-one
Property Insights of 3-[(2,6-dimethylphenyl)amino]-2-benzofuran-1(3H)-one
The XLogP value of 3.58454 indicates that 3-[(2,6-dimethylphenyl)amino]-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 38.33 Ų, 3-[(2,6-dimethylphenyl)amino]-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]-2-benzofuran-1(3H)-one has 1 hydrogen bond donor(s) and 3 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]-2-benzofuran-1(3H)-one?
The CAS number of 3-[(2,6-dimethylphenyl)amino]-2-benzofuran-1(3H)-one is 42974-45-8.
What is the molecular formula of 3-[(2,6-dimethylphenyl)amino]-2-benzofuran-1(3H)-one?
The molecular formula of 3-[(2,6-dimethylphenyl)amino]-2-benzofuran-1(3H)-one is C16H15NO2.
What is the molecular weight of 3-[(2,6-dimethylphenyl)amino]-2-benzofuran-1(3H)-one?
The molecular weight of 3-[(2,6-dimethylphenyl)amino]-2-benzofuran-1(3H)-one is 253.11 g/mol.
Where can I buy 3-[(2,6-dimethylphenyl)amino]-2-benzofuran-1(3H)-one?
You can request a quote for 3-[(2,6-dimethylphenyl)amino]-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]-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,6-dimethylphenyl)amino]-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.