AE-848/32950017
TL;DR: AE-848/32950017 (CAS 330180-35-3) is a chemical compound with molecular formula C24H15N5O3S and molecular weight 453.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-benzylsulfanyl-4-[5-(2-nitrophenyl)furan-2-yl]pyridine-3,5-dicarbonitrile
Also Known As: AE-848/32950017, 2-amino-6-benzylsulfanyl-4-[5-(2-nitrophenyl)furan-2-yl]pyridine-3,5-dicarbonitrile, 2-amino-6-(benzylsulfanyl)-4-(5-{2-nitrophenyl}-2-furyl)-3,5-pyridinedicarbonitrile, 2-amino-6-(benzylsulfanyl)-4-[5-(2-nitrophenyl)furan-2-yl]pyridine-3,5-dicarbonitrile, 2-amino-6-(benzylthio)-4-(5-(2-nitrophenyl)furan-2-yl)pyridine-3,5-dicarbonitrile
| Molecular Formula | C24H15N5O3S |
|---|---|
| Molecular Weight | 453.09 g/mol |
| LogP | 5.53466 |
| Topological Polar Surface Area | 142.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.08957 |
| Heavy Atoms | 33 |
| Complexity | 1434.973 |
Chemical Identifiers
| CAS Number | 330180-35-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])C#N |
Product Overview
AE-848/32950017 (CAS 330180-35-3), with molecular formula C24H15N5O3S and molecular weight 453.09 g/mol. IUPAC: 2-amino-6-benzylsulfanyl-4-[5-(2-nitrophenyl)furan-2-yl]pyridine-3,5-dicarbonitrile.
Chemical Property Profile of AE-848/32950017
Property Insights of AE-848/32950017
The XLogP value of 5.53466 indicates that AE-848/32950017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.77 Ų indicates high polarity, suggesting AE-848/32950017 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AE-848/32950017 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-848/32950017?
The CAS number of AE-848/32950017 is 330180-35-3.
What is the molecular formula of AE-848/32950017?
The molecular formula of AE-848/32950017 is C24H15N5O3S.
What is the molecular weight of AE-848/32950017?
The molecular weight of AE-848/32950017 is 453.09 g/mol.
Where can I buy AE-848/32950017?
You can request a quote for AE-848/32950017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/32950017?
Yes, KEHONG BIO provides custom synthesis services for AE-848/32950017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.