![1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone structure](/static/products/802/802970-39-4.png)
1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
TL;DR: 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CAS 802970-39-4) is a chemical compound with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Also Known As: 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone, 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)ethanone, 1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone
| Molecular Formula | C20H23N3O4S |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 3.78494 |
| Topological Polar Surface Area | 79.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 401.14093 |
| Heavy Atoms | 28 |
| Complexity | 947.01904 |
Chemical Identifiers
| CAS Number | 802970-39-4 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)OC |
Product Overview
1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CAS 802970-39-4), with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol. IUPAC: 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Property Insights of 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
The XLogP value of 3.78494 indicates that 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]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-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The CAS number of 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is 802970-39-4.
What is the molecular formula of 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The molecular formula of 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is C20H23N3O4S.
What is the molecular weight of 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The molecular weight of 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is 401.14 g/mol.
Where can I buy 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
You can request a quote for 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]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-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.