1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone
TL;DR: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone (CAS 848906-57-0) is a chemical compound with molecular formula C16H15Cl2NO3 and molecular weight 339.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone
Also Known As: AB00802022-01, 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone, 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethan-1-one
| Molecular Formula | C16H15Cl2NO3 |
|---|---|
| Molecular Weight | 339.04 g/mol |
| LogP | 4.40264 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.0429 |
| Heavy Atoms | 22 |
| Complexity | 750.0895 |
Chemical Identifiers
| CAS Number | 848906-57-0 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C)C(=O)COC2=C(C=CC(=C2)Cl)Cl |
Product Overview
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone (CAS 848906-57-0), with molecular formula C16H15Cl2NO3 and molecular weight 339.04 g/mol. IUPAC: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone.
Chemical Property Profile of 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone
Property Insights of 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone
The XLogP value of 4.40264 indicates that 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.16 Ų, 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone has 1 hydrogen bond donor(s) and 3 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-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone?
The CAS number of 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone is 848906-57-0.
What is the molecular formula of 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone?
The molecular formula of 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone is C16H15Cl2NO3.
What is the molecular weight of 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone?
The molecular weight of 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone is 339.04 g/mol.
Where can I buy 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone?
You can request a quote for 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2,5-dichlorophenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.