BAS 00516384
TL;DR: BAS 00516384 (CAS 418805-64-8) is a chemical compound with molecular formula C27H20Cl4N4O2 and molecular weight 572.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-4-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-(2,4-dichlorophenyl)methyl]-5-methyl-4H-pyrazol-3-one
Also Known As: BAS 00516384, 2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl](2,4-dichlorophenyl)methyl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 2-(4-chlorophenyl)-4-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-(2,4-dichlorophenyl)methyl]-5-methyl-4H-pyrazol-3-one, 1-(4-chlorophenyl)-4-((1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)(2,4-dichlorophenyl)methyl)-3-methyl-1H-pyrazol-5(4H)-one
| Molecular Formula | C27H20Cl4N4O2 |
|---|---|
| Molecular Weight | 572.03 g/mol |
| LogP | 7.25842 |
| Topological Polar Surface Area | 70.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 572.03406 |
| Heavy Atoms | 37 |
| Complexity | 1590.3878 |
Chemical Identifiers
| CAS Number | 418805-64-8 |
|---|---|
| SMILES | CC1=NN(C(=O)C1C(C2=C(C=C(C=C2)Cl)Cl)C3=C(NN(C3=O)C4=CC=C(C=C4)Cl)C)C5=CC=C(C=C5)Cl |
Product Overview
BAS 00516384 (CAS 418805-64-8), with molecular formula C27H20Cl4N4O2 and molecular weight 572.03 g/mol. IUPAC: 2-(4-chlorophenyl)-4-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-(2,4-dichlorophenyl)methyl]-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of BAS 00516384
Property Insights of BAS 00516384
The XLogP value of 7.25842 indicates that BAS 00516384 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 00516384. Following Lipinski's Rule of Five, BAS 00516384 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00516384?
The CAS number of BAS 00516384 is 418805-64-8.
What is the molecular formula of BAS 00516384?
The molecular formula of BAS 00516384 is C27H20Cl4N4O2.
What is the molecular weight of BAS 00516384?
The molecular weight of BAS 00516384 is 572.03 g/mol.
Where can I buy BAS 00516384?
You can request a quote for BAS 00516384 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00516384?
Yes, KEHONG BIO provides custom synthesis services for BAS 00516384 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.