4-Oxo-6-phenyl-6-(4-toluidino)hexanoic acid
TL;DR: 4-Oxo-6-phenyl-6-(4-toluidino)hexanoic acid (CAS 6422-27-1) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylanilino)-4-oxo-6-phenylhexanoic acid
Also Known As: 4-oxo-6-phenyl-6-(4-toluidino)hexanoic acid, 6-(4-methylanilino)-4-oxo-6-phenylhexanoic acid, AE-842/31986045, 6-[(4-METHYLPHENYL)AMINO]-4-OXO-6-PHENYLHEXANOIC ACID
| Molecular Formula | C19H21NO3 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 3.97222 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 311.15213 |
| Heavy Atoms | 23 |
| Complexity | 650.07477 |
Chemical Identifiers
| CAS Number | 6422-27-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(CC(=O)CCC(=O)O)C2=CC=CC=C2 |
Product Overview
4-Oxo-6-phenyl-6-(4-toluidino)hexanoic acid (CAS 6422-27-1), with molecular formula C19H21NO3 and molecular weight 311.15 g/mol. IUPAC: 6-(4-methylanilino)-4-oxo-6-phenylhexanoic acid.
Chemical Property Profile of 4-Oxo-6-phenyl-6-(4-toluidino)hexanoic acid
Property Insights of 4-Oxo-6-phenyl-6-(4-toluidino)hexanoic acid
The XLogP value of 3.97222 indicates that 4-Oxo-6-phenyl-6-(4-toluidino)hexanoic 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 4-Oxo-6-phenyl-6-(4-toluidino)hexanoic acid. Following Lipinski's Rule of Five, 4-Oxo-6-phenyl-6-(4-toluidino)hexanoic acid has 2 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 4-Oxo-6-phenyl-6-(4-toluidino)hexanoic acid?
The CAS number of 4-Oxo-6-phenyl-6-(4-toluidino)hexanoic acid is 6422-27-1.
What is the molecular formula of 4-Oxo-6-phenyl-6-(4-toluidino)hexanoic acid?
The molecular formula of 4-Oxo-6-phenyl-6-(4-toluidino)hexanoic acid is C19H21NO3.
What is the molecular weight of 4-Oxo-6-phenyl-6-(4-toluidino)hexanoic acid?
The molecular weight of 4-Oxo-6-phenyl-6-(4-toluidino)hexanoic acid is 311.15 g/mol.
Where can I buy 4-Oxo-6-phenyl-6-(4-toluidino)hexanoic acid?
You can request a quote for 4-Oxo-6-phenyl-6-(4-toluidino)hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-6-phenyl-6-(4-toluidino)hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-6-phenyl-6-(4-toluidino)hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.