BAS 00516385
TL;DR: BAS 00516385 (CAS 5628-56-8) is a chemical compound with molecular formula C27H21Cl3N4O2 and molecular weight 538.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-4-[(2-chlorophenyl)-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-4H-pyrazol-3-one
Also Known As: BAS 00516385, 2-(4-chlorophenyl)-4-[(2-chlorophenyl)-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-4H-pyrazol-3-one, 2-(4-chlorophenyl)-4-{(2-chlorophenyl)[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methyl}-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 2-(4-Chlorophenyl)-4-{(2-chlorophenyl)[1-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]methyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one, CID 2856724
| Molecular Formula | C27H21Cl3N4O2 |
|---|---|
| Molecular Weight | 538.07 g/mol |
| LogP | 6.60502 |
| Topological Polar Surface Area | 70.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 538.073 |
| Heavy Atoms | 36 |
| Complexity | 1538.7396 |
Chemical Identifiers
| CAS Number | 5628-56-8 |
|---|---|
| SMILES | CC1=NN(C(=O)C1C(C2=CC=CC=C2Cl)C3=C(NN(C3=O)C4=CC=C(C=C4)Cl)C)C5=CC=C(C=C5)Cl |
Product Overview
BAS 00516385 (CAS 5628-56-8), with molecular formula C27H21Cl3N4O2 and molecular weight 538.07 g/mol. IUPAC: 2-(4-chlorophenyl)-4-[(2-chlorophenyl)-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of BAS 00516385
Property Insights of BAS 00516385
The XLogP value of 6.60502 indicates that BAS 00516385 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 00516385. Following Lipinski's Rule of Five, BAS 00516385 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 00516385?
The CAS number of BAS 00516385 is 5628-56-8.
What is the molecular formula of BAS 00516385?
The molecular formula of BAS 00516385 is C27H21Cl3N4O2.
What is the molecular weight of BAS 00516385?
The molecular weight of BAS 00516385 is 538.07 g/mol.
Where can I buy BAS 00516385?
You can request a quote for BAS 00516385 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00516385?
Yes, KEHONG BIO provides custom synthesis services for BAS 00516385 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.