ChemDiv1_005002
TL;DR: ChemDiv1_005002 (CAS 441291-68-5) is a chemical compound with molecular formula C28H28N2O6 and molecular weight 488.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_005002, F0909-0353, AF-399/14388019, 2-((1-(3-(benzo[d][1,3]dioxol-5-yloxy)-2-hydroxypropyl)piperidin-4-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 3-({1-[3-(2H-1,3-benzodioxol-5-yloxy)-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 | C28H28N2O6 |
|---|---|
| Molecular Weight | 488.19 g/mol |
| LogP | 3.3164 |
| Topological Polar Surface Area | 88.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.19473 |
| Heavy Atoms | 36 |
| Complexity | 1265.8878 |
Chemical Identifiers
| CAS Number | 441291-68-5 |
|---|---|
| SMILES | C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COC5=CC6=C(C=C5)OCO6)O |
Product Overview
ChemDiv1_005002 (CAS 441291-68-5), with molecular formula C28H28N2O6 and molecular weight 488.19 g/mol. IUPAC: 2-[[1-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_005002
Property Insights of ChemDiv1_005002
The XLogP value of 3.3164 indicates that ChemDiv1_005002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.54 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005002. Following Lipinski's Rule of Five, ChemDiv1_005002 has 1 hydrogen bond donor(s) and 7 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_005002?
The CAS number of ChemDiv1_005002 is 441291-68-5.
What is the molecular formula of ChemDiv1_005002?
The molecular formula of ChemDiv1_005002 is C28H28N2O6.
What is the molecular weight of ChemDiv1_005002?
The molecular weight of ChemDiv1_005002 is 488.19 g/mol.
Where can I buy ChemDiv1_005002?
You can request a quote for ChemDiv1_005002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005002?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.