AE-848/36080001
TL;DR: AE-848/36080001 (CAS 328971-58-0) is a chemical compound with molecular formula C20H11ClN4O3 and molecular weight 390.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(1H-benzimidazol-2-yl)-3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]prop-2-enenitrile
Also Known As: AE-848/36080001, (Z)-2-(1H-benzimidazol-2-yl)-3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]prop-2-enenitrile, 2-(1H-benzimidazol-2-yl)-3-(5-{2-chloro-5-nitrophenyl}-2-furyl)acrylonitrile, (Z)-2-(1H-benzo[d]imidazol-2-yl)-3-(5-(2-chloro-5-nitrophenyl)furan-2-yl)acrylonitrile, 2-(1H-Benzo[d]imidazol-2-yl)-3-(5-(2-chloro-5-nitrophenyl)furan-2-yl)acrylonitrile
| Molecular Formula | C20H11ClN4O3 |
|---|---|
| Molecular Weight | 390.05 g/mol |
| LogP | 5.44868 |
| Topological Polar Surface Area | 108.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.05197 |
| Heavy Atoms | 28 |
| Complexity | 1247.0907 |
Chemical Identifiers
| CAS Number | 328971-58-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)/C(=C\C3=CC=C(O3)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)/C#N |
Product Overview
AE-848/36080001 (CAS 328971-58-0), with molecular formula C20H11ClN4O3 and molecular weight 390.05 g/mol. IUPAC: (Z)-2-(1H-benzimidazol-2-yl)-3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]prop-2-enenitrile.
Chemical Property Profile of AE-848/36080001
Property Insights of AE-848/36080001
The XLogP value of 5.44868 indicates that AE-848/36080001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/36080001. Following Lipinski's Rule of Five, AE-848/36080001 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/36080001?
The CAS number of AE-848/36080001 is 328971-58-0.
What is the molecular formula of AE-848/36080001?
The molecular formula of AE-848/36080001 is C20H11ClN4O3.
What is the molecular weight of AE-848/36080001?
The molecular weight of AE-848/36080001 is 390.05 g/mol.
Where can I buy AE-848/36080001?
You can request a quote for AE-848/36080001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/36080001?
Yes, KEHONG BIO provides custom synthesis services for AE-848/36080001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.