AF 518
TL;DR: AF 518 (CAS 97377-85-0) is a chemical compound with molecular formula C15H19Cl2N3O and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
AF 518
2-(4-chlorophenyl)-5-(3-pyrrolidin-1-ium-2-ylpropyl)-1,3,4-oxadiazole chloride
Also Known As: AF 518, 3-(p-Chlorophenyl)-5-(3-(1-pyrrolidinyl)propyl)-1,2,4-oxadiazole hydrochloride, 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-(3-(1-pyrrolidinyl)propyl)-, hydrochloride, 2-(4-Chlorophenyl)-5-(3-pyrrolidin-1-ium-2-ylpropyl)-1,3,4-oxadiazolechloride, 1,1'-(1,9-Nonanediyl)bis[1,1,1-triphenyl-phosphonium Bromide (1:2)
| Molecular Formula | C15H19Cl2N3O |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | -0.56 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.0905 |
| Heavy Atoms | 21 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 97377-85-0 |
|---|---|
| SMILES | C1CC([NH2+]C1)CCCC2=NN=C(O2)C3=CC=C(C=C3)Cl.[Cl-] |
| InChIKey | VLOZTRRODPBFIY-UHFFFAOYSA-N |
Product Overview
AF 518 (CAS 97377-85-0), with molecular formula C15H19Cl2N3O and molecular weight 327.09 g/mol. IUPAC: 2-(4-chlorophenyl)-5-(3-pyrrolidin-1-ium-2-ylpropyl)-1,3,4-oxadiazole chloride.
Chemical Property Profile of AF 518
Property Insights of AF 518
The XLogP value of -0.56 indicates that AF 518 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.5 Ų, AF 518 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF 518 has 1 hydrogen bond donor(s) and 4 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 AF 518?
The CAS number of AF 518 is 97377-85-0.
What is the molecular formula of AF 518?
The molecular formula of AF 518 is C15H19Cl2N3O.
What is the molecular weight of AF 518?
The molecular weight of AF 518 is 327.09 g/mol.
Where can I buy AF 518?
You can request a quote for AF 518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF 518?
Yes, KEHONG BIO provides custom synthesis services for AF 518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.