BAS 01118321
TL;DR: BAS 01118321 (CAS 332102-13-3) is a chemical compound with molecular formula C29H22Cl3N3O3 and molecular weight 565.07 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-(2,4-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: BAS 01118321, 4-(3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-5-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, 4-[3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-5-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, F0394-0028, 4-[5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(2,4-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C29H22Cl3N3O3 |
|---|---|
| Molecular Weight | 565.07 g/mol |
| LogP | 7.71292 |
| Topological Polar Surface Area | 82.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 565.0727 |
| Heavy Atoms | 38 |
| Complexity | 1605.4915 |
Chemical Identifiers
| CAS Number | 332102-13-3 |
|---|---|
| SMILES | CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)C4=NN(C(C4)C5=C(C=C(C=C5)Cl)Cl)C(=O)CCC(=O)O |
Product Overview
BAS 01118321 (CAS 332102-13-3), with molecular formula C29H22Cl3N3O3 and molecular weight 565.07 g/mol. IUPAC: 4-[5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(2,4-dichlorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of BAS 01118321
Property Insights of BAS 01118321
The XLogP value of 7.71292 indicates that BAS 01118321 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 01118321. Following Lipinski's Rule of Five, BAS 01118321 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 01118321?
The CAS number of BAS 01118321 is 332102-13-3.
What is the molecular formula of BAS 01118321?
The molecular formula of BAS 01118321 is C29H22Cl3N3O3.
What is the molecular weight of BAS 01118321?
The molecular weight of BAS 01118321 is 565.07 g/mol.
Where can I buy BAS 01118321?
You can request a quote for BAS 01118321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01118321?
Yes, KEHONG BIO provides custom synthesis services for BAS 01118321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.