ChemDiv1_005095
TL;DR: ChemDiv1_005095 (CAS 6238-40-0) is a chemical compound with molecular formula C26H22N2O5 and molecular weight 442.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_005095, BAS 03353016, BIM-0002594.P001, AE-641/41201823, 2-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
| Molecular Formula | C26H22N2O5 |
|---|---|
| Molecular Weight | 442.15 g/mol |
| LogP | 3.7169 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.15286 |
| Heavy Atoms | 33 |
| Complexity | 1258.5302 |
Chemical Identifiers
| CAS Number | 6238-40-0 |
|---|---|
| SMILES | C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC6=C(C=C5)OCO6 |
Product Overview
ChemDiv1_005095 (CAS 6238-40-0), with molecular formula C26H22N2O5 and molecular weight 442.15 g/mol. IUPAC: 2-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_005095
Property Insights of ChemDiv1_005095
The XLogP value of 3.7169 indicates that ChemDiv1_005095 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005095. Following Lipinski's Rule of Five, ChemDiv1_005095 has 0 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_005095?
The CAS number of ChemDiv1_005095 is 6238-40-0.
What is the molecular formula of ChemDiv1_005095?
The molecular formula of ChemDiv1_005095 is C26H22N2O5.
What is the molecular weight of ChemDiv1_005095?
The molecular weight of ChemDiv1_005095 is 442.15 g/mol.
Where can I buy ChemDiv1_005095?
You can request a quote for ChemDiv1_005095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005095?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.