EC 410-430-4
TL;DR: EC 410-430-4 (CAS 117573-89-4) is a chemical compound with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Also Known As: EC 410-430-4, 1-(4-Carboxyphenyl)-4-(4-dimethylaminobenzylidene)-3-methyl-2-pyrazolin-5-one, 4-[4-[[4-(Dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid, 4-[4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic Acid, 4-[4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
| Molecular Formula | C20H19N3O3 |
|---|---|
| Molecular Weight | 349.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.14264 |
| Heavy Atoms | 26 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 117573-89-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)C(=O)O |
| InChIKey | UULQWQZZJJLJPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
EC 410-430-4 (CAS 117573-89-4), with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol. IUPAC: 4-[4-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid.
Chemical Property Profile of EC 410-430-4
Property Insights of EC 410-430-4
The XLogP value of 3.0 indicates that EC 410-430-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for EC 410-430-4. Following Lipinski's Rule of Five, EC 410-430-4 has 1 hydrogen bond donor(s) and 5 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 EC 410-430-4?
The CAS number of EC 410-430-4 is 117573-89-4.
What is the molecular formula of EC 410-430-4?
The molecular formula of EC 410-430-4 is C20H19N3O3.
What is the molecular weight of EC 410-430-4?
The molecular weight of EC 410-430-4 is 349.14 g/mol.
Where can I buy EC 410-430-4?
You can request a quote for EC 410-430-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EC 410-430-4?
Yes, KEHONG BIO provides custom synthesis services for EC 410-430-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.