![1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine structure](/static/products/1049/1049188-19-3.webp)
1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine
TL;DR: 1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine (CAS 1049188-19-3) is a chemical compound with molecular formula C17H16ClN3OS and molecular weight 345.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
Also Known As: 1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine, 1-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-2-phenyl-ethylamine, 1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenyl-ethanamine, 1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine
| Molecular Formula | C17H16ClN3OS |
|---|---|
| Molecular Weight | 345.07 g/mol |
| LogP | 4.2578 |
| Topological Polar Surface Area | 64.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.07025 |
| Heavy Atoms | 23 |
| Complexity | 763.29474 |
Chemical Identifiers
| CAS Number | 1049188-19-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C2=NN=C(O2)SCC3=CC=CC=C3Cl)N |
Product Overview
1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine (CAS 1049188-19-3), with molecular formula C17H16ClN3OS and molecular weight 345.07 g/mol. IUPAC: 1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethanamine.
Chemical Property Profile of 1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine
Property Insights of 1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine
The XLogP value of 4.2578 indicates that 1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine. Following Lipinski's Rule of Five, 1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine has 1 hydrogen bond donor(s) and 5 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-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine?
The CAS number of 1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine is 1049188-19-3.
What is the molecular formula of 1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine?
The molecular formula of 1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine is C17H16ClN3OS.
What is the molecular weight of 1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine?
The molecular weight of 1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine is 345.07 g/mol.
Where can I buy 1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine?
You can request a quote for 1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine?
Yes, KEHONG BIO provides custom synthesis services for 1-{5-[(2-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.