BAS 00655868
TL;DR: BAS 00655868 (CAS 331944-75-3) is a chemical compound with molecular formula C29H23Cl2N3O3 and molecular weight 531.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: BAS 00655868, F0236-0019, 4-[3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, 4-[5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid, 4-(3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
| Molecular Formula | C29H23Cl2N3O3 |
|---|---|
| Molecular Weight | 531.11 g/mol |
| LogP | 7.05952 |
| Topological Polar Surface Area | 82.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 531.11163 |
| Heavy Atoms | 37 |
| Complexity | 1536.0823 |
Chemical Identifiers
| CAS Number | 331944-75-3 |
|---|---|
| SMILES | CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)C4=NN(C(C4)C5=CC=C(C=C5)Cl)C(=O)CCC(=O)O |
Product Overview
BAS 00655868 (CAS 331944-75-3), with molecular formula C29H23Cl2N3O3 and molecular weight 531.11 g/mol. IUPAC: 4-[5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of BAS 00655868
Property Insights of BAS 00655868
The XLogP value of 7.05952 indicates that BAS 00655868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00655868. Following Lipinski's Rule of Five, BAS 00655868 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00655868?
The CAS number of BAS 00655868 is 331944-75-3.
What is the molecular formula of BAS 00655868?
The molecular formula of BAS 00655868 is C29H23Cl2N3O3.
What is the molecular weight of BAS 00655868?
The molecular weight of BAS 00655868 is 531.11 g/mol.
Where can I buy BAS 00655868?
You can request a quote for BAS 00655868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00655868?
Yes, KEHONG BIO provides custom synthesis services for BAS 00655868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.