1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
TL;DR: 1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone (CAS 757228-54-9) is a chemical compound with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Also Known As: 1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone, 1-[1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone, 1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
| Molecular Formula | C22H21N3O4S |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 4.77984 |
| Topological Polar Surface Area | 83.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.12527 |
| Heavy Atoms | 30 |
| Complexity | 1143.9921 |
Chemical Identifiers
| CAS Number | 757228-54-9 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)OC |
Product Overview
1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone (CAS 757228-54-9), with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol. IUPAC: 1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
Property Insights of 1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
The XLogP value of 4.77984 indicates that 1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone has 0 hydrogen bond donor(s) and 7 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-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The CAS number of 1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone is 757228-54-9.
What is the molecular formula of 1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The molecular formula of 1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone is C22H21N3O4S.
What is the molecular weight of 1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
The molecular weight of 1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone is 423.13 g/mol.
Where can I buy 1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
You can request a quote for 1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.