ChemDiv1_002105
TL;DR: ChemDiv1_002105 (CAS 330662-89-0) is a chemical compound with molecular formula C29H24BrN3O5 and molecular weight 573.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_002105, p-anisoylaminobenzenesulfonamide, BAS 00620044, BIM-0008308.P001, 4-(3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
| Molecular Formula | C29H24BrN3O5 |
|---|---|
| Molecular Weight | 573.09 g/mol |
| LogP | 5.5087 |
| Topological Polar Surface Area | 112.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 573.0899 |
| Heavy Atoms | 38 |
| Complexity | 1613.5938 |
Chemical Identifiers
| CAS Number | 330662-89-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=C(C4=C(C=CC(=C4)Br)NC3=O)C5=CC=CC=C5 |
Product Overview
ChemDiv1_002105 (CAS 330662-89-0), with molecular formula C29H24BrN3O5 and molecular weight 573.09 g/mol. IUPAC: 4-[5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_002105
Property Insights of ChemDiv1_002105
The XLogP value of 5.5087 indicates that ChemDiv1_002105 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002105. Following Lipinski's Rule of Five, ChemDiv1_002105 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002105?
The CAS number of ChemDiv1_002105 is 330662-89-0.
What is the molecular formula of ChemDiv1_002105?
The molecular formula of ChemDiv1_002105 is C29H24BrN3O5.
What is the molecular weight of ChemDiv1_002105?
The molecular weight of ChemDiv1_002105 is 573.09 g/mol.
Where can I buy ChemDiv1_002105?
You can request a quote for ChemDiv1_002105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002105?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.