ChemDiv1_004662
TL;DR: ChemDiv1_004662 (CAS 361479-71-2) is a chemical compound with molecular formula C22H24BrN3O3 and molecular weight 457.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
Also Known As: ChemDiv1_004662, 5-{5-[4-(dimethylamino)phenyl]-3-(4-bromophenyl)(2-pyrazolinyl)}-5-oxopentanoi c acid, 5-(3-(4-bromophenyl)-5-(4-(dimethylamino)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid, 5-[5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid, 5-{3-(4-bromophenyl)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}-5-oxopentanoic acid
| Molecular Formula | C22H24BrN3O3 |
|---|---|
| Molecular Weight | 457.10 g/mol |
| LogP | 4.4477 |
| Topological Polar Surface Area | 73.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.1001 |
| Heavy Atoms | 29 |
| Complexity | 907.90466 |
Chemical Identifiers
| CAS Number | 361479-71-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2CC(=NN2C(=O)CCCC(=O)O)C3=CC=C(C=C3)Br |
Product Overview
ChemDiv1_004662 (CAS 361479-71-2), with molecular formula C22H24BrN3O3 and molecular weight 457.10 g/mol. IUPAC: 5-[5-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid.
Chemical Property Profile of ChemDiv1_004662
Property Insights of ChemDiv1_004662
The XLogP value of 4.4477 indicates that ChemDiv1_004662 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004662. Following Lipinski's Rule of Five, ChemDiv1_004662 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004662?
The CAS number of ChemDiv1_004662 is 361479-71-2.
What is the molecular formula of ChemDiv1_004662?
The molecular formula of ChemDiv1_004662 is C22H24BrN3O3.
What is the molecular weight of ChemDiv1_004662?
The molecular weight of ChemDiv1_004662 is 457.10 g/mol.
Where can I buy ChemDiv1_004662?
You can request a quote for ChemDiv1_004662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004662?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.