ChemDiv3_004994
TL;DR: ChemDiv3_004994 (CAS 523992-04-3) 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.
methyl 2-[4-[(4-methylphenyl)iminomethyl]-3-oxo-2-phenyl-1H-pyrazol-5-yl]acetate
Also Known As: ChemDiv3_004994, IDI1_022904, BRD-K23894337-001-01-6, methyl 2-[(4E)-4-[(4-methylanilino)methylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate, (E)-methyl 2-(5-hydroxy-1-phenyl-4-((p-tolylimino)methyl)-1H-pyrazol-3-yl)acetate
| Molecular Formula | C20H19N3O3 |
|---|---|
| Molecular Weight | 349.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.14264 |
| Heavy Atoms | 26 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 523992-04-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N=CC2=C(NN(C2=O)C3=CC=CC=C3)CC(=O)OC |
| InChIKey | XHZKAQJSHLOVAV-UHFFFAOYSA-N |
Product Overview
ChemDiv3_004994 (CAS 523992-04-3), with molecular formula C20H19N3O3 and molecular weight 349.14 g/mol. IUPAC: methyl 2-[4-[(4-methylphenyl)iminomethyl]-3-oxo-2-phenyl-1H-pyrazol-5-yl]acetate.
Chemical Property Profile of ChemDiv3_004994
Property Insights of ChemDiv3_004994
The XLogP value of 3.1 indicates that ChemDiv3_004994 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004994. Following Lipinski's Rule of Five, ChemDiv3_004994 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 ChemDiv3_004994?
The CAS number of ChemDiv3_004994 is 523992-04-3.
What is the molecular formula of ChemDiv3_004994?
The molecular formula of ChemDiv3_004994 is C20H19N3O3.
What is the molecular weight of ChemDiv3_004994?
The molecular weight of ChemDiv3_004994 is 349.14 g/mol.
Where can I buy ChemDiv3_004994?
You can request a quote for ChemDiv3_004994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004994?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.