AE-848/34407027
TL;DR: AE-848/34407027 (CAS 313687-42-2) is a chemical compound with molecular formula C16H8ClN3O3S and molecular weight 357.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(5-nitrofuran-2-yl)prop-2-enenitrile
Also Known As: AE-848/34407027, (2E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(5-nitrofuran-2-yl)prop-2-enenitrile, (E)-2-(4-(4-chlorophenyl)thiazol-2-yl)-3-(5-nitrofuran-2-yl)acrylonitrile, (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(5-nitrofuran-2-yl)prop-2-enenitrile, 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-{5-nitro-2-furyl}acrylonitrile
| Molecular Formula | C16H8ClN3O3S |
|---|---|
| Molecular Weight | 357.00 g/mol |
| LogP | 5.02888 |
| Topological Polar Surface Area | 92.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.9975 |
| Heavy Atoms | 24 |
| Complexity | 967.12164 |
Chemical Identifiers
| CAS Number | 313687-42-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CSC(=N2)/C(=C/C3=CC=C(O3)[N+](=O)[O-])/C#N)Cl |
Product Overview
AE-848/34407027 (CAS 313687-42-2), with molecular formula C16H8ClN3O3S and molecular weight 357.00 g/mol. IUPAC: (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(5-nitrofuran-2-yl)prop-2-enenitrile.
Chemical Property Profile of AE-848/34407027
Property Insights of AE-848/34407027
The XLogP value of 5.02888 indicates that AE-848/34407027 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/34407027. Following Lipinski's Rule of Five, AE-848/34407027 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/34407027?
The CAS number of AE-848/34407027 is 313687-42-2.
What is the molecular formula of AE-848/34407027?
The molecular formula of AE-848/34407027 is C16H8ClN3O3S.
What is the molecular weight of AE-848/34407027?
The molecular weight of AE-848/34407027 is 357.00 g/mol.
Where can I buy AE-848/34407027?
You can request a quote for AE-848/34407027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/34407027?
Yes, KEHONG BIO provides custom synthesis services for AE-848/34407027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.