2-methyl-benzoic acid p-toluidide
TL;DR: 2-methyl-benzoic acid p-toluidide (CAS 5825-16-1) is a chemical compound with molecular formula C33H44N6O3 and molecular weight 572.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxyphenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
Also Known As: 2-methyl-benzoic acid p-toluidide, AM-900/15248025, 4-[2-({4-[2-(4-tert-Butylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)hydrazinyl]-2,6-di(pyrrolidin-1-yl)pyrimidine, N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxyphenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine, 4-[2-({4-[2-(4-tert-Butylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)hydrazin-1-yl]-2,6-di(pyrrolidin-1-yl)pyrimidine
| Molecular Formula | C33H44N6O3 |
|---|---|
| Molecular Weight | 572.35 g/mol |
| LogP | 6.277 |
| Topological Polar Surface Area | 84.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 572.3475 |
| Heavy Atoms | 42 |
| Complexity | 1292.3529 |
Chemical Identifiers
| CAS Number | 5825-16-1 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=NNC2=CC(=NC(=N2)N3CCCC3)N4CCCC4)OCCOC5=CC=C(C=C5)C(C)(C)C |
Product Overview
2-methyl-benzoic acid p-toluidide (CAS 5825-16-1), with molecular formula C33H44N6O3 and molecular weight 572.35 g/mol. IUPAC: N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxyphenyl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine.
Chemical Property Profile of 2-methyl-benzoic acid p-toluidide
Property Insights of 2-methyl-benzoic acid p-toluidide
The XLogP value of 6.277 indicates that 2-methyl-benzoic acid p-toluidide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-benzoic acid p-toluidide. Following Lipinski's Rule of Five, 2-methyl-benzoic acid p-toluidide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-methyl-benzoic acid p-toluidide?
The CAS number of 2-methyl-benzoic acid p-toluidide is 5825-16-1.
What is the molecular formula of 2-methyl-benzoic acid p-toluidide?
The molecular formula of 2-methyl-benzoic acid p-toluidide is C33H44N6O3.
What is the molecular weight of 2-methyl-benzoic acid p-toluidide?
The molecular weight of 2-methyl-benzoic acid p-toluidide is 572.35 g/mol.
Where can I buy 2-methyl-benzoic acid p-toluidide?
You can request a quote for 2-methyl-benzoic acid p-toluidide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-benzoic acid p-toluidide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-benzoic acid p-toluidide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.