ChemDiv1_005272
TL;DR: ChemDiv1_005272 (CAS 326889-50-3) is a chemical compound with molecular formula C29H33N3O3 and molecular weight 471.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: ChemDiv1_005272, AF-399/15600016, F0885-0009, 2-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione, 2-{2-[4-(1-adamantylcarbonyl)-1-piperazinyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C29H33N3O3 |
|---|---|
| Molecular Weight | 471.25 g/mol |
| LogP | 3.7964 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.2522 |
| Heavy Atoms | 35 |
| Complexity | 1142.8683 |
Chemical Identifiers
| CAS Number | 326889-50-3 |
|---|---|
| SMILES | C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C56CC7CC(C5)CC(C7)C6 |
Product Overview
ChemDiv1_005272 (CAS 326889-50-3), with molecular formula C29H33N3O3 and molecular weight 471.25 g/mol. IUPAC: 2-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of ChemDiv1_005272
Property Insights of ChemDiv1_005272
The XLogP value of 3.7964 indicates that ChemDiv1_005272 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005272. Following Lipinski's Rule of Five, ChemDiv1_005272 has 0 hydrogen bond donor(s) and 4 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_005272?
The CAS number of ChemDiv1_005272 is 326889-50-3.
What is the molecular formula of ChemDiv1_005272?
The molecular formula of ChemDiv1_005272 is C29H33N3O3.
What is the molecular weight of ChemDiv1_005272?
The molecular weight of ChemDiv1_005272 is 471.25 g/mol.
Where can I buy ChemDiv1_005272?
You can request a quote for ChemDiv1_005272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005272?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.