ID 4708
TL;DR: ID 4708 (CAS 42048-72-6) is a chemical compound with molecular formula C22H24F4N2O2 and molecular weight 424.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-amino-4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
Also Known As: ID 4708, 1-(3-(2-Amino-4-fluorobenzoyl)propyl)-4-hydroxy-4-(3-trifluoromethylphenyl)piperidine, 1-(2-Amino-4-fluorophenyl)-4-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)-1-piperidinyl)-1-butanone, monohydrochloride, 1-(2-amino-4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one, 1-Butanone, 1-(2-amino-4-fluorophenyl)-4-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)-1-piperidinyl)-
| Molecular Formula | C22H24F4N2O2 |
|---|---|
| Molecular Weight | 424.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.1774 |
| Heavy Atoms | 30 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 42048-72-6 |
|---|---|
| SMILES | C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)CCCC(=O)C3=C(C=C(C=C3)F)N |
| InChIKey | SBAFWLYMAPHVMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ID 4708 (CAS 42048-72-6), with molecular formula C22H24F4N2O2 and molecular weight 424.18 g/mol. IUPAC: 1-(2-amino-4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one.
Chemical Property Profile of ID 4708
Property Insights of ID 4708
The XLogP value of 3.9 indicates that ID 4708 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ID 4708. Following Lipinski's Rule of Five, ID 4708 has 2 hydrogen bond donor(s) and 8 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 ID 4708?
The CAS number of ID 4708 is 42048-72-6.
What is the molecular formula of ID 4708?
The molecular formula of ID 4708 is C22H24F4N2O2.
What is the molecular weight of ID 4708?
The molecular weight of ID 4708 is 424.18 g/mol.
Where can I buy ID 4708?
You can request a quote for ID 4708 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ID 4708?
Yes, KEHONG BIO provides custom synthesis services for ID 4708 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.