ChemDiv1_021244
TL;DR: ChemDiv1_021244 (CAS 314040-19-2) is a chemical compound with molecular formula C22H23F3N4O3 and molecular weight 448.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-difluorophenyl)-[4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)piperazin-1-yl]methanone
Also Known As: ChemDiv1_021244, BIM-0037921.P001, AB00101173-01, (2,6-difluorophenyl)-[4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)piperazin-1-yl]methanone, A2224/0093673
| Molecular Formula | C22H23F3N4O3 |
|---|---|
| Molecular Weight | 448.17 g/mol |
| LogP | 3.9648 |
| Topological Polar Surface Area | 69.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.1722 |
| Heavy Atoms | 32 |
| Complexity | 1015.07135 |
Chemical Identifiers
| CAS Number | 314040-19-2 |
|---|---|
| SMILES | C1CCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=C(C=CC=C4F)F)[N+](=O)[O-])F |
Product Overview
ChemDiv1_021244 (CAS 314040-19-2), with molecular formula C22H23F3N4O3 and molecular weight 448.17 g/mol. IUPAC: (2,6-difluorophenyl)-[4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)piperazin-1-yl]methanone.
Chemical Property Profile of ChemDiv1_021244
Property Insights of ChemDiv1_021244
The XLogP value of 3.9648 indicates that ChemDiv1_021244 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_021244. Following Lipinski's Rule of Five, ChemDiv1_021244 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_021244?
The CAS number of ChemDiv1_021244 is 314040-19-2.
What is the molecular formula of ChemDiv1_021244?
The molecular formula of ChemDiv1_021244 is C22H23F3N4O3.
What is the molecular weight of ChemDiv1_021244?
The molecular weight of ChemDiv1_021244 is 448.17 g/mol.
Where can I buy ChemDiv1_021244?
You can request a quote for ChemDiv1_021244 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021244?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021244 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.