ChemDiv1_004960
TL;DR: ChemDiv1_004960 (CAS 441291-77-6) is a chemical compound with molecular formula C29H32N2O6 and molecular weight 504.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_004960, AF-399/14387018, 2-[[1-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione, 2-({1-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-4-piperidinyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-({1-[3-(2,6-DIMETHOXYPHENOXY)-2-HYDROXYPROPYL]-4-PIPERIDYL}METHYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE
| Molecular Formula | C29H32N2O6 |
|---|---|
| Molecular Weight | 504.23 g/mol |
| LogP | 3.6049 |
| Topological Polar Surface Area | 88.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 504.22604 |
| Heavy Atoms | 37 |
| Complexity | 1227.7965 |
Chemical Identifiers
| CAS Number | 441291-77-6 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OC)OCC(CN2CCC(CC2)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O |
Product Overview
ChemDiv1_004960 (CAS 441291-77-6), with molecular formula C29H32N2O6 and molecular weight 504.23 g/mol. IUPAC: 2-[[1-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_004960
Property Insights of ChemDiv1_004960
The XLogP value of 3.6049 indicates that ChemDiv1_004960 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_004960. Following Lipinski's Rule of Five, ChemDiv1_004960 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_004960?
The CAS number of ChemDiv1_004960 is 441291-77-6.
What is the molecular formula of ChemDiv1_004960?
The molecular formula of ChemDiv1_004960 is C29H32N2O6.
What is the molecular weight of ChemDiv1_004960?
The molecular weight of ChemDiv1_004960 is 504.23 g/mol.
Where can I buy ChemDiv1_004960?
You can request a quote for ChemDiv1_004960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004960?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.