p-Malonotoluidide
TL;DR: p-Malonotoluidide (CAS 5469-94-3) is a chemical compound with molecular formula C17H18N2O2 and molecular weight 282.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis(4-methylphenyl)propanediamide
Also Known As: p-Malonotoluidide, N,N'-bis(4-methylphenyl)propanediamide, N1,N3-Di-p-tolylmalonamide, N,N'-Di-p-tolyl-malonamide, Malonanilide analog
| Molecular Formula | C17H18N2O2 |
|---|---|
| Molecular Weight | 282.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.13684 |
| Heavy Atoms | 21 |
| Complexity | 320.0 |
| Solubility | <0.3 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 5469-94-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CC(=O)NC2=CC=C(C=C2)C |
| InChIKey | CIGKFIJIRVGTGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Malonotoluidide (CAS 5469-94-3), with molecular formula C17H18N2O2 and molecular weight 282.14 g/mol. IUPAC: N,N'-bis(4-methylphenyl)propanediamide.
Chemical Property Profile of p-Malonotoluidide
Property Insights of p-Malonotoluidide
The XLogP value of 3.9 indicates that p-Malonotoluidide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, p-Malonotoluidide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Malonotoluidide has 2 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 p-Malonotoluidide?
The CAS number of p-Malonotoluidide is 5469-94-3.
What is the molecular formula of p-Malonotoluidide?
The molecular formula of p-Malonotoluidide is C17H18N2O2.
What is the molecular weight of p-Malonotoluidide?
The molecular weight of p-Malonotoluidide is 282.14 g/mol.
Where can I buy p-Malonotoluidide?
You can request a quote for p-Malonotoluidide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Malonotoluidide?
Yes, KEHONG BIO provides custom synthesis services for p-Malonotoluidide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.