3-phenyl-3-(4-toluidino)-2-benzofuran-1(3H)-one
TL;DR: 3-phenyl-3-(4-toluidino)-2-benzofuran-1(3H)-one (CAS 37019-89-9) is a chemical compound with molecular formula C21H17NO2 and molecular weight 315.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylanilino)-3-phenyl-2-benzofuran-1-one
Also Known As: 3-phenyl-3-(4-toluidino)-2-benzofuran-1(3H)-one, 3-(4-methylanilino)-3-phenyl-2-benzofuran-1-one, AM-781/11717022
| Molecular Formula | C21H17NO2 |
|---|---|
| Molecular Weight | 315.13 g/mol |
| LogP | 4.47862 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.12592 |
| Heavy Atoms | 24 |
| Complexity | 887.227 |
Chemical Identifiers
| CAS Number | 37019-89-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4 |
Product Overview
3-phenyl-3-(4-toluidino)-2-benzofuran-1(3H)-one (CAS 37019-89-9), with molecular formula C21H17NO2 and molecular weight 315.13 g/mol. IUPAC: 3-(4-methylanilino)-3-phenyl-2-benzofuran-1-one.
Chemical Property Profile of 3-phenyl-3-(4-toluidino)-2-benzofuran-1(3H)-one
Property Insights of 3-phenyl-3-(4-toluidino)-2-benzofuran-1(3H)-one
The XLogP value of 4.47862 indicates that 3-phenyl-3-(4-toluidino)-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-phenyl-3-(4-toluidino)-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-phenyl-3-(4-toluidino)-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-phenyl-3-(4-toluidino)-2-benzofuran-1(3H)-one?
The CAS number of 3-phenyl-3-(4-toluidino)-2-benzofuran-1(3H)-one is 37019-89-9.
What is the molecular formula of 3-phenyl-3-(4-toluidino)-2-benzofuran-1(3H)-one?
The molecular formula of 3-phenyl-3-(4-toluidino)-2-benzofuran-1(3H)-one is C21H17NO2.
What is the molecular weight of 3-phenyl-3-(4-toluidino)-2-benzofuran-1(3H)-one?
The molecular weight of 3-phenyl-3-(4-toluidino)-2-benzofuran-1(3H)-one is 315.13 g/mol.
Where can I buy 3-phenyl-3-(4-toluidino)-2-benzofuran-1(3H)-one?
You can request a quote for 3-phenyl-3-(4-toluidino)-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-phenyl-3-(4-toluidino)-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-phenyl-3-(4-toluidino)-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.