![2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline structure](/static/products/4391/439112-42-2.webp)
2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline
TL;DR: 2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline (CAS 439112-42-2) is a chemical compound with molecular formula C20H12ClN3OS2 and molecular weight 409.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole
Also Known As: 8R-1164, 2-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline, 2-[(4-chlorophenyl)methylsulfanyl]-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole, 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-{thieno[2,3-b]quinolin-2-yl}-1,3,4-oxadiazole
| Molecular Formula | C20H12ClN3OS2 |
|---|---|
| Molecular Weight | 409.01 g/mol |
| LogP | 6.4452 |
| Topological Polar Surface Area | 51.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.01102 |
| Heavy Atoms | 27 |
| Complexity | 1194.8036 |
Chemical Identifiers
| CAS Number | 439112-42-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=C(SC3=N2)C4=NN=C(O4)SCC5=CC=C(C=C5)Cl |
Product Overview
2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline (CAS 439112-42-2), with molecular formula C20H12ClN3OS2 and molecular weight 409.01 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole.
Chemical Property Profile of 2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline
Property Insights of 2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline
The XLogP value of 6.4452 indicates that 2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.81 Ų, 2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline 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 2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline?
The CAS number of 2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline is 439112-42-2.
What is the molecular formula of 2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline?
The molecular formula of 2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline is C20H12ClN3OS2.
What is the molecular weight of 2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline?
The molecular weight of 2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline is 409.01 g/mol.
Where can I buy 2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline?
You can request a quote for 2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}thieno[2,3-b]quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.