5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid
TL;DR: 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid (CAS 161265-86-7) is a chemical compound with molecular formula C24H27NO3 and molecular weight 377.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-acetyl-6-hydroxy-6-methyl-4-(4-methylanilino)-2-phenylcyclohex-3-en-1-yl]ethanone
Also Known As: 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid, 1-[3-acetyl-6-hydroxy-6-methyl-4-(4-methylanilino)-2-phenylcyclohex-3-en-1-yl]ethanone, 1,1'-(3-hydroxy-3-methyl-5-(p-tolylamino)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-2,6-diyl)diethanone, 1,1'-{6-hydroxy-6-methyl-4-[(4-methylphenyl)amino]-2-phenylcyclohex-3-ene-1,3-diyl}diethanone
| Molecular Formula | C24H27NO3 |
|---|---|
| Molecular Weight | 377.20 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.1991 |
| Heavy Atoms | 28 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 161265-86-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C(C(C(C(C2)(C)O)C(=O)C)C3=CC=CC=C3)C(=O)C |
| InChIKey | JMKJZHKMDUEINT-UHFFFAOYSA-N |
Product Overview
5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid (CAS 161265-86-7), with molecular formula C24H27NO3 and molecular weight 377.20 g/mol. IUPAC: 1-[3-acetyl-6-hydroxy-6-methyl-4-(4-methylanilino)-2-phenylcyclohex-3-en-1-yl]ethanone.
Chemical Property Profile of 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid
Property Insights of 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid
The XLogP value of 4.2 indicates that 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid. Following Lipinski's Rule of Five, 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid has 2 hydrogen bond donor(s) and 4 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 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid?
The CAS number of 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid is 161265-86-7.
What is the molecular formula of 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid?
The molecular formula of 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid is C24H27NO3.
What is the molecular weight of 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid?
The molecular weight of 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid is 377.20 g/mol.
Where can I buy 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid?
You can request a quote for 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.