![1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone structure](/static/products/5727/5727-30-0.webp)
1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
TL;DR: 1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CAS 5727-30-0) is a chemical compound with molecular formula C23H19Cl2N3O3S and molecular weight 487.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Also Known As: 1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone, 1-[1-(3,4-Dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
| Molecular Formula | C23H19Cl2N3O3S |
|---|---|
| Molecular Weight | 487.05 g/mol |
| LogP | 6.43454 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.05243 |
| Heavy Atoms | 32 |
| Complexity | 1282.3862 |
Chemical Identifiers
| CAS Number | 5727-30-0 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)OC |
Product Overview
1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CAS 5727-30-0), with molecular formula C23H19Cl2N3O3S and molecular weight 487.05 g/mol. IUPAC: 1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
Property Insights of 1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
The XLogP value of 6.43454 indicates that 1-[1-(3,4-dichlorophenyl)-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 70.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone 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 1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The CAS number of 1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is 5727-30-0.
What is the molecular formula of 1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The molecular formula of 1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is C23H19Cl2N3O3S.
What is the molecular weight of 1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The molecular weight of 1-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is 487.05 g/mol.
Where can I buy 1-[1-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-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.