1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride
TL;DR: 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride (CAS 96431-52-6) is a chemical compound with molecular formula C13H17Cl2N3O and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-diethylazanium chloride
Also Known As: AF 511, 3-(p-Chlorophenyl)-5-((diethylamino)methyl)-1,2,4-oxadiazole hydrochloride, 1,2,4-OXADIAZOLE, 3-(p-CHLOROPHENYL)-5-((DIETHYLAMINO)METHYL)-, HYDROCHLORIDE, [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-diethylazanium chloride, AF 511, 3-(p-Chlorophenyl)-5-((diethylamino)methyl)-1,2,4-oxadiazole hydrochloride, 1,2,4-OXADIAZOLE, 3-(p-CHLOROPHENYL)-5-((DIETHYLAMINO)METHYL)-, HYDROCHLORIDE, 96431-52-6, AC1L1MAJ, LS-99101, [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-diethylazanium chloride, N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-ethylethanaminium chloride
| Molecular Formula | C13H17Cl2N3O |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | -1.18 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.07486 |
| Heavy Atoms | 19 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 96431-52-6 |
|---|---|
| SMILES | CC[NH+](CC)CC1=NC(=NO1)C2=CC=C(C=C2)Cl.[Cl-] |
| InChIKey | CNXKMRUOOJXNHC-UHFFFAOYSA-N |
Product Overview
1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride (CAS 96431-52-6), with molecular formula C13H17Cl2N3O and molecular weight 301.07 g/mol. IUPAC: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-diethylazanium chloride.
Chemical Property Profile of 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride
Property Insights of 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride
The XLogP value of -1.18 indicates that 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.4 Ų, 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride 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 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride?
The CAS number of 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride is 96431-52-6.
What is the molecular formula of 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride?
The molecular formula of 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride is C13H17Cl2N3O.
What is the molecular weight of 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride?
The molecular weight of 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride is 301.07 g/mol.
Where can I buy 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride?
You can request a quote for 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Oxadiazole, 3-(p-chlorophenyl)-5-((diethylamino)methyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.