ChemDiv1_008552
TL;DR: ChemDiv1_008552 (CAS 392308-52-0) is a chemical compound with molecular formula C22H18BrN3O2 and molecular weight 435.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-bromophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
Also Known As: ChemDiv1_008552, F0877-0158, (3-(4-bromophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanone, [5-(4-bromophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone, 4-[3-(4-bromophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbonyl]pyridine
| Molecular Formula | C22H18BrN3O2 |
|---|---|
| Molecular Weight | 435.06 g/mol |
| LogP | 4.8442 |
| Topological Polar Surface Area | 54.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.05823 |
| Heavy Atoms | 28 |
| Complexity | 1019.46655 |
Chemical Identifiers
| CAS Number | 392308-52-0 |
|---|---|
| SMILES | COC1=CC=CC=C1C2CC(=NN2C(=O)C3=CC=NC=C3)C4=CC=C(C=C4)Br |
Product Overview
ChemDiv1_008552 (CAS 392308-52-0), with molecular formula C22H18BrN3O2 and molecular weight 435.06 g/mol. IUPAC: [5-(4-bromophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone.
Chemical Property Profile of ChemDiv1_008552
Property Insights of ChemDiv1_008552
The XLogP value of 4.8442 indicates that ChemDiv1_008552 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.79 Ų, ChemDiv1_008552 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_008552 has 0 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_008552?
The CAS number of ChemDiv1_008552 is 392308-52-0.
What is the molecular formula of ChemDiv1_008552?
The molecular formula of ChemDiv1_008552 is C22H18BrN3O2.
What is the molecular weight of ChemDiv1_008552?
The molecular weight of ChemDiv1_008552 is 435.06 g/mol.
Where can I buy ChemDiv1_008552?
You can request a quote for ChemDiv1_008552 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008552?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.