DEAP fluoranthene
TL;DR: DEAP fluoranthene (CAS 27086-86-8) is a chemical compound with molecular formula C32H42Cl2N2O2 and molecular weight 556.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-[4-(diethylazaniumyl)butanoyl]fluoranthen-8-yl]-4-oxobutyl]-diethylazanium dichloride
Also Known As: DEAP fluoranthene, RMI 9563DA, RMI 9563, Bis(3-(diethylamino)propyl) 3,9-fluoranthenedicarboxylate dihydrochloride, 3,9-Fluoranthenedicarboxylic acid , bis(3-(diethylamino)propyl) ester, dihydrochloride
| Molecular Formula | C32H42Cl2N2O2 |
|---|---|
| Molecular Weight | 556.26 g/mol |
| LogP | -1.73 |
| Topological Polar Surface Area | 43.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 556.2623 |
| Heavy Atoms | 38 |
| Complexity | 715.0 |
Chemical Identifiers
| CAS Number | 27086-86-8 |
|---|---|
| SMILES | CC[NH+](CC)CCCC(=O)C1=CC2=C(C=C1)C3=CC=CC4=C(C=CC2=C43)C(=O)CCC[NH+](CC)CC.[Cl-].[Cl-] |
| InChIKey | KJQAVEHYRSXTFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DEAP fluoranthene (CAS 27086-86-8), with molecular formula C32H42Cl2N2O2 and molecular weight 556.26 g/mol. IUPAC: [4-[4-[4-(diethylazaniumyl)butanoyl]fluoranthen-8-yl]-4-oxobutyl]-diethylazanium dichloride.
Chemical Property Profile of DEAP fluoranthene
Property Insights of DEAP fluoranthene
The XLogP value of -1.73 indicates that DEAP fluoranthene is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.0 Ų, DEAP fluoranthene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DEAP fluoranthene has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DEAP fluoranthene?
The CAS number of DEAP fluoranthene is 27086-86-8.
What is the molecular formula of DEAP fluoranthene?
The molecular formula of DEAP fluoranthene is C32H42Cl2N2O2.
What is the molecular weight of DEAP fluoranthene?
The molecular weight of DEAP fluoranthene is 556.26 g/mol.
Where can I buy DEAP fluoranthene?
You can request a quote for DEAP fluoranthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DEAP fluoranthene?
Yes, KEHONG BIO provides custom synthesis services for DEAP fluoranthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.