ChemDiv1_005178
TL;DR: ChemDiv1_005178 (CAS 441291-74-3) is a chemical compound with molecular formula C27H27FN2O4 and molecular weight 462.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_005178, AF-399/14388026, F0909-0359, 2-((1-(3-(4-fluorophenoxy)-2-hydroxypropyl)piperidin-4-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 3-({1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl}methyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
| Molecular Formula | C27H27FN2O4 |
|---|---|
| Molecular Weight | 462.20 g/mol |
| LogP | 3.7268 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.1955 |
| Heavy Atoms | 34 |
| Complexity | 1154.2306 |
Chemical Identifiers
| CAS Number | 441291-74-3 |
|---|---|
| SMILES | C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COC5=CC=C(C=C5)F)O |
Product Overview
ChemDiv1_005178 (CAS 441291-74-3), with molecular formula C27H27FN2O4 and molecular weight 462.20 g/mol. IUPAC: 2-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_005178
Property Insights of ChemDiv1_005178
The XLogP value of 3.7268 indicates that ChemDiv1_005178 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005178. Following Lipinski's Rule of Five, ChemDiv1_005178 has 1 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_005178?
The CAS number of ChemDiv1_005178 is 441291-74-3.
What is the molecular formula of ChemDiv1_005178?
The molecular formula of ChemDiv1_005178 is C27H27FN2O4.
What is the molecular weight of ChemDiv1_005178?
The molecular weight of ChemDiv1_005178 is 462.20 g/mol.
Where can I buy ChemDiv1_005178?
You can request a quote for ChemDiv1_005178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005178?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.