ChemDiv1_004966
TL;DR: ChemDiv1_004966 (CAS 326889-52-5) is a chemical compound with molecular formula C29H32N2O3 and molecular weight 456.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(adamantane-1-carbonyl)piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_004966, AF-399/15600017, F0885-0010, 2-[[1-(adamantane-1-carbonyl)piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione, 2-{[1-(1-adamantylcarbonyl)-4-piperidinyl]methyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C29H32N2O3 |
|---|---|
| Molecular Weight | 456.24 g/mol |
| LogP | 4.8908 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.2413 |
| Heavy Atoms | 34 |
| Complexity | 1123.0431 |
Chemical Identifiers
| CAS Number | 326889-52-5 |
|---|---|
| SMILES | C1CN(CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C56CC7CC(C5)CC(C7)C6 |
Product Overview
ChemDiv1_004966 (CAS 326889-52-5), with molecular formula C29H32N2O3 and molecular weight 456.24 g/mol. IUPAC: 2-[[1-(adamantane-1-carbonyl)piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_004966
Property Insights of ChemDiv1_004966
The XLogP value of 4.8908 indicates that ChemDiv1_004966 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, ChemDiv1_004966 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_004966 has 0 hydrogen bond donor(s) and 3 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_004966?
The CAS number of ChemDiv1_004966 is 326889-52-5.
What is the molecular formula of ChemDiv1_004966?
The molecular formula of ChemDiv1_004966 is C29H32N2O3.
What is the molecular weight of ChemDiv1_004966?
The molecular weight of ChemDiv1_004966 is 456.24 g/mol.
Where can I buy ChemDiv1_004966?
You can request a quote for ChemDiv1_004966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004966?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.