![4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide structure](/static/products/4780/478077-30-4.webp)
4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide
TL;DR: 4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide (CAS 478077-30-4) is a chemical compound with molecular formula C17H12FN3OS2 and molecular weight 357.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methylsulfanyl]-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole
Also Known As: Bionet1_003943, DivK1c_002439, CDS1_001399, 7P-422S, 4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide
| Molecular Formula | C17H12FN3OS2 |
|---|---|
| Molecular Weight | 357.04 g/mol |
| LogP | 5.0202 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.0406 |
| Heavy Atoms | 24 |
| Complexity | 929.08264 |
Chemical Identifiers
| CAS Number | 478077-30-4 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(SC=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)F |
Product Overview
4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide (CAS 478077-30-4), with molecular formula C17H12FN3OS2 and molecular weight 357.04 g/mol. IUPAC: 2-[(4-fluorophenyl)methylsulfanyl]-5-(3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazole.
Chemical Property Profile of 4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide
Property Insights of 4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide
The XLogP value of 5.0202 indicates that 4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.85 Ų, 4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide 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 4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide?
The CAS number of 4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide is 478077-30-4.
What is the molecular formula of 4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide?
The molecular formula of 4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide is C17H12FN3OS2.
What is the molecular weight of 4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide?
The molecular weight of 4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide is 357.04 g/mol.
Where can I buy 4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide?
You can request a quote for 4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-fluorobenzyl 5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazol-2-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.