4-pentamethylbenzoylaniline
TL;DR: 4-pentamethylbenzoylaniline (CAS 261964-49-2) is a chemical compound with molecular formula C18H21NO and molecular weight 267.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
Also Known As: 4-pentamethylbenzoylaniline, (4-aminophenyl)(2,3,4,5,6-pentamethylphenyl)methanone, (4-Aminophenyl)(pentamethylphenyl)methanone, (4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone, RefChem:388644
| Molecular Formula | C18H21NO |
|---|---|
| Molecular Weight | 267.16 g/mol |
| LogP | 4.0419 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.16232 |
| Heavy Atoms | 20 |
| Complexity | 652.5498 |
Chemical Identifiers
| CAS Number | 261964-49-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)C(=O)C2=CC=C(C=C2)N)C)C |
Product Overview
4-pentamethylbenzoylaniline (CAS 261964-49-2), with molecular formula C18H21NO and molecular weight 267.16 g/mol. IUPAC: (4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone.
Chemical Property Profile of 4-pentamethylbenzoylaniline
Property Insights of 4-pentamethylbenzoylaniline
The XLogP value of 4.0419 indicates that 4-pentamethylbenzoylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.09 Ų, 4-pentamethylbenzoylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-pentamethylbenzoylaniline has 1 hydrogen bond donor(s) and 2 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-pentamethylbenzoylaniline?
The CAS number of 4-pentamethylbenzoylaniline is 261964-49-2.
What is the molecular formula of 4-pentamethylbenzoylaniline?
The molecular formula of 4-pentamethylbenzoylaniline is C18H21NO.
What is the molecular weight of 4-pentamethylbenzoylaniline?
The molecular weight of 4-pentamethylbenzoylaniline is 267.16 g/mol.
Where can I buy 4-pentamethylbenzoylaniline?
You can request a quote for 4-pentamethylbenzoylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-pentamethylbenzoylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-pentamethylbenzoylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.