![2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole structure](/static/products/4780/478077-29-1.webp)
2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole
TL;DR: 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole (CAS 478077-29-1) is a chemical compound with molecular formula C17H11Cl2N3OS2 and molecular weight 406.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole
Also Known As: 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole, 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole, 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-[3-(1H-pyrrol-1-yl)thiophen-2-yl]-1,3,4-oxadiazole
| Molecular Formula | C17H11Cl2N3OS2 |
|---|---|
| Molecular Weight | 406.97 g/mol |
| LogP | 6.1879 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.97205 |
| Heavy Atoms | 25 |
| Complexity | 974.93164 |
Chemical Identifiers
| CAS Number | 478077-29-1 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(SC=C2)C3=NN=C(O3)SCC4=C(C=CC=C4Cl)Cl |
Product Overview
2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole (CAS 478077-29-1), with molecular formula C17H11Cl2N3OS2 and molecular weight 406.97 g/mol. IUPAC: 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole.
Chemical Property Profile of 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole
Property Insights of 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole
The XLogP value of 6.1879 indicates that 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.85 Ų, 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole?
The CAS number of 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole is 478077-29-1.
What is the molecular formula of 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole?
The molecular formula of 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole is C17H11Cl2N3OS2.
What is the molecular weight of 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole?
The molecular weight of 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole is 406.97 g/mol.
Where can I buy 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole?
You can request a quote for 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.