1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone
TL;DR: 1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone (CAS 477334-12-6) is a chemical compound with molecular formula C22H21NO2 and molecular weight 331.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-(4-phenoxyanilino)propan-1-one
Also Known As: 1-(4-methylphenyl)-3-(4-phenoxyanilino)-1-propanone, 3-((4-Phenoxyphenyl)amino)-1-(p-tolyl)propan-1-one, 1-(4-methylphenyl)-3-(4-phenoxyanilino)propan-1-one, 3-(4-phenoxyanilino)-1-(p-tolyl)propan-1-one, 1-(4-Methylphenyl)-3-[(4-phenoxyphenyl)amino]-1-propanone
| Molecular Formula | C22H21NO2 |
|---|---|
| Molecular Weight | 331.16 g/mol |
| LogP | 5.47222 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.15723 |
| Heavy Atoms | 25 |
| Complexity | 808.91077 |
Chemical Identifiers
| CAS Number | 477334-12-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)OC3=CC=CC=C3 |
Product Overview
1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone (CAS 477334-12-6), with molecular formula C22H21NO2 and molecular weight 331.16 g/mol. IUPAC: 1-(4-methylphenyl)-3-(4-phenoxyanilino)propan-1-one.
Chemical Property Profile of 1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone
Property Insights of 1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone
The XLogP value of 5.47222 indicates that 1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone?
The CAS number of 1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone is 477334-12-6.
What is the molecular formula of 1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone?
The molecular formula of 1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone is C22H21NO2.
What is the molecular weight of 1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone?
The molecular weight of 1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone is 331.16 g/mol.
Where can I buy 1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone?
You can request a quote for 1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)-3-(4-phenoxyanilino)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.