AE-848/36959151
TL;DR: AE-848/36959151 (CAS 309281-58-1) is a chemical compound with molecular formula C24H17NO6 and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-phenylindene-1,3-dione
Also Known As: BAS 00834835, AE-848/36959151, 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-phenylindene-1,3-dione, 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-phenyl-1H-indene-1,3(2H)-dione, A2098/0088179
| Molecular Formula | C24H17NO6 |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 3.7928 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.1056 |
| Heavy Atoms | 31 |
| Complexity | 1184.749 |
Chemical Identifiers
| CAS Number | 309281-58-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])C3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5 |
Product Overview
AE-848/36959151 (CAS 309281-58-1), with molecular formula C24H17NO6 and molecular weight 415.11 g/mol. IUPAC: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-2-phenylindene-1,3-dione.
Chemical Property Profile of AE-848/36959151
Property Insights of AE-848/36959151
The XLogP value of 3.7928 indicates that AE-848/36959151 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/36959151. Following Lipinski's Rule of Five, AE-848/36959151 has 0 hydrogen bond donor(s) and 6 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 AE-848/36959151?
The CAS number of AE-848/36959151 is 309281-58-1.
What is the molecular formula of AE-848/36959151?
The molecular formula of AE-848/36959151 is C24H17NO6.
What is the molecular weight of AE-848/36959151?
The molecular weight of AE-848/36959151 is 415.11 g/mol.
Where can I buy AE-848/36959151?
You can request a quote for AE-848/36959151 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/36959151?
Yes, KEHONG BIO provides custom synthesis services for AE-848/36959151 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.