ChemDiv1_005046
TL;DR: ChemDiv1_005046 (CAS 441291-69-6) is a chemical compound with molecular formula C29H30N2O6 and molecular weight 502.21 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-ylmethoxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_005046, AF-399/14388013, F0909-0354, 3-[(1-{3-[(2H-1,3-benzodioxol-5-yl)methoxy]-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, 2-((1-(3-(benzo[d][1,3]dioxol-5-ylmethoxy)-2-hydroxypropyl)piperidin-4-yl)methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C29H30N2O6 |
|---|---|
| Molecular Weight | 502.21 g/mol |
| LogP | 3.4542 |
| Topological Polar Surface Area | 88.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.2104 |
| Heavy Atoms | 37 |
| Complexity | 1282.4714 |
Chemical Identifiers
| CAS Number | 441291-69-6 |
|---|---|
| SMILES | C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COCC5=CC6=C(C=C5)OCO6)O |
Product Overview
ChemDiv1_005046 (CAS 441291-69-6), with molecular formula C29H30N2O6 and molecular weight 502.21 g/mol. IUPAC: 2-[[1-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_005046
Property Insights of ChemDiv1_005046
The XLogP value of 3.4542 indicates that ChemDiv1_005046 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_005046. Following Lipinski's Rule of Five, ChemDiv1_005046 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005046?
The CAS number of ChemDiv1_005046 is 441291-69-6.
What is the molecular formula of ChemDiv1_005046?
The molecular formula of ChemDiv1_005046 is C29H30N2O6.
What is the molecular weight of ChemDiv1_005046?
The molecular weight of ChemDiv1_005046 is 502.21 g/mol.
Where can I buy ChemDiv1_005046?
You can request a quote for ChemDiv1_005046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005046?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.