RefChem:565946
TL;DR: RefChem:565946 (CAS 68892-09-1) is a chemical compound with molecular formula C20H18ClN3O3 and molecular weight 383.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[2-chloro-4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Also Known As: Benzoic acid, 4-[4-[[2-chloro-4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, 4-(2-Chloro-4-dimethylaminobenzylidene)-1-(4'-carboxyphenyl)-3-methylpyrazol-5-one, Benzoic acid, 4-(4-((2-chloro-4-(dimethylamino)phenyl)methylene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, RefChem:565946
| Molecular Formula | C20H18ClN3O3 |
|---|---|
| Molecular Weight | 383.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.10367 |
| Heavy Atoms | 27 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 68892-09-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=CC2=C(C=C(C=C2)N(C)C)Cl)C3=CC=C(C=C3)C(=O)O |
| InChIKey | JFICDISAILHYAD-UHFFFAOYSA-N |
Product Overview
RefChem:565946 (CAS 68892-09-1), with molecular formula C20H18ClN3O3 and molecular weight 383.10 g/mol. IUPAC: 4-[4-[[2-chloro-4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid.
Chemical Property Profile of RefChem:565946
Property Insights of RefChem:565946
The XLogP value of 3.7 indicates that RefChem:565946 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 RefChem:565946. Following Lipinski's Rule of Five, RefChem:565946 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 RefChem:565946?
The CAS number of RefChem:565946 is 68892-09-1.
What is the molecular formula of RefChem:565946?
The molecular formula of RefChem:565946 is C20H18ClN3O3.
What is the molecular weight of RefChem:565946?
The molecular weight of RefChem:565946 is 383.10 g/mol.
Where can I buy RefChem:565946?
You can request a quote for RefChem:565946 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:565946?
Yes, KEHONG BIO provides custom synthesis services for RefChem:565946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.