ChemDiv1_023062
TL;DR: ChemDiv1_023062 (CAS 5931-58-8) is a chemical compound with molecular formula C22H24F2N4O3 and molecular weight 430.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
Also Known As: ChemDiv1_023062, 1-(3-fluorobenzoyl)-4-[4-fluoro-2-nitro-5-(1-piperidinyl)phenyl]piperazine, A2501/0106413, [4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone, 4-(4-fluoro-2-nitro-5-piperidylphenyl)piperazinyl 3-fluorophenyl ketone
| Molecular Formula | C22H24F2N4O3 |
|---|---|
| Molecular Weight | 430.18 g/mol |
| LogP | 3.8257 |
| Topological Polar Surface Area | 69.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.18164 |
| Heavy Atoms | 31 |
| Complexity | 986.71643 |
Chemical Identifiers
| CAS Number | 5931-58-8 |
|---|---|
| SMILES | C1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)F)[N+](=O)[O-])F |
Product Overview
ChemDiv1_023062 (CAS 5931-58-8), with molecular formula C22H24F2N4O3 and molecular weight 430.18 g/mol. IUPAC: [4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone.
Chemical Property Profile of ChemDiv1_023062
Property Insights of ChemDiv1_023062
The XLogP value of 3.8257 indicates that ChemDiv1_023062 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023062. Following Lipinski's Rule of Five, ChemDiv1_023062 has 0 hydrogen bond donor(s) and 5 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_023062?
The CAS number of ChemDiv1_023062 is 5931-58-8.
What is the molecular formula of ChemDiv1_023062?
The molecular formula of ChemDiv1_023062 is C22H24F2N4O3.
What is the molecular weight of ChemDiv1_023062?
The molecular weight of ChemDiv1_023062 is 430.18 g/mol.
Where can I buy ChemDiv1_023062?
You can request a quote for ChemDiv1_023062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023062?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.