ChemDiv1_008722
TL;DR: ChemDiv1_008722 (CAS 402950-76-9) is a chemical compound with molecular formula C22H18BrFN2O4 and molecular weight 472.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromofuran-2-yl)-[5-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
Also Known As: ChemDiv1_008722, F0877-0070, (5-bromofuran-2-yl)-[5-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone, 1-(5-bromofuran-2-carbonyl)-3-(3,4-dimethoxyphenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole, (5-bromo-2-furyl)[3-(3,4-dimethoxyphenyl)-5-(o-fluorophenyl)-2-pyrazolin-1-yl]methanone
| Molecular Formula | C22H18BrFN2O4 |
|---|---|
| Molecular Weight | 472.04 g/mol |
| LogP | 5.1899 |
| Topological Polar Surface Area | 64.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.0434 |
| Heavy Atoms | 30 |
| Complexity | 1127.8302 |
Chemical Identifiers
| CAS Number | 402950-76-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3F)C(=O)C4=CC=C(O4)Br)OC |
Product Overview
ChemDiv1_008722 (CAS 402950-76-9), with molecular formula C22H18BrFN2O4 and molecular weight 472.04 g/mol. IUPAC: (5-bromofuran-2-yl)-[5-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]methanone.
Chemical Property Profile of ChemDiv1_008722
Property Insights of ChemDiv1_008722
The XLogP value of 5.1899 indicates that ChemDiv1_008722 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008722. Following Lipinski's Rule of Five, ChemDiv1_008722 has 0 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_008722?
The CAS number of ChemDiv1_008722 is 402950-76-9.
What is the molecular formula of ChemDiv1_008722?
The molecular formula of ChemDiv1_008722 is C22H18BrFN2O4.
What is the molecular weight of ChemDiv1_008722?
The molecular weight of ChemDiv1_008722 is 472.04 g/mol.
Where can I buy ChemDiv1_008722?
You can request a quote for ChemDiv1_008722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008722?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.