BAS 00513974
TL;DR: BAS 00513974 (CAS 418806-36-7) is a chemical compound with molecular formula C23H21ClN4O2 and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-2-(3,4-dimethylphenyl)-5-methylpyrazol-3-one
Also Known As: BAS 00513974, (4Z)-4-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-2-(3,4-dimethylphenyl)-5-methylpyrazol-3-one, (Z)-4-((1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)methylene)-1-(3,4-dimethylphenyl)-3-methyl-1H-pyrazol-5(4H)-one, 1-(3,4-dimethylphenyl)-4-{[1-(4-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]m ethylene}-3-methyl-1,2-diazolin-5-one, 4-{[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylene}-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C23H21ClN4O2 |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 4.55036 |
| Topological Polar Surface Area | 70.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.1353 |
| Heavy Atoms | 30 |
| Complexity | 1279.5222 |
Chemical Identifiers
| CAS Number | 418806-36-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=C(NN(C3=O)C4=CC=C(C=C4)Cl)C)/C(=N2)C)C |
Product Overview
BAS 00513974 (CAS 418806-36-7), with molecular formula C23H21ClN4O2 and molecular weight 420.14 g/mol. IUPAC: (4Z)-4-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-2-(3,4-dimethylphenyl)-5-methylpyrazol-3-one.
Chemical Property Profile of BAS 00513974
Property Insights of BAS 00513974
The XLogP value of 4.55036 indicates that BAS 00513974 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00513974. Following Lipinski's Rule of Five, BAS 00513974 has 1 hydrogen bond donor(s) and 3 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 BAS 00513974?
The CAS number of BAS 00513974 is 418806-36-7.
What is the molecular formula of BAS 00513974?
The molecular formula of BAS 00513974 is C23H21ClN4O2.
What is the molecular weight of BAS 00513974?
The molecular weight of BAS 00513974 is 420.14 g/mol.
Where can I buy BAS 00513974?
You can request a quote for BAS 00513974 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00513974?
Yes, KEHONG BIO provides custom synthesis services for BAS 00513974 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.