![1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone structure](/static/products/4614/461439-40-7.webp)
1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
TL;DR: 1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone (CAS 461439-40-7) is a chemical compound with molecular formula C16H17ClN2O2 and molecular weight 304.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
Also Known As: BAS 04358810, 1-[4-acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone, 3,4-diacetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrole, 1,1'-[1-(3-amino-4-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3,4-diyl]diethanone, 1-[4-Acetyl-1-(3-amino-4-chloro-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-ethanone
| Molecular Formula | C16H17ClN2O2 |
|---|---|
| Molecular Weight | 304.10 g/mol |
| LogP | 3.73494 |
| Topological Polar Surface Area | 65.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.09787 |
| Heavy Atoms | 21 |
| Complexity | 722.62286 |
Chemical Identifiers
| CAS Number | 461439-40-7 |
|---|---|
| SMILES | CC1=C(C(=C(N1C2=CC(=C(C=C2)Cl)N)C)C(=O)C)C(=O)C |
Product Overview
1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone (CAS 461439-40-7), with molecular formula C16H17ClN2O2 and molecular weight 304.10 g/mol. IUPAC: 1-[4-acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone.
Chemical Property Profile of 1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
Property Insights of 1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
The XLogP value of 3.73494 indicates that 1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone. Following Lipinski's Rule of Five, 1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]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-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The CAS number of 1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone is 461439-40-7.
What is the molecular formula of 1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The molecular formula of 1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone is C16H17ClN2O2.
What is the molecular weight of 1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The molecular weight of 1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone is 304.10 g/mol.
Where can I buy 1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
You can request a quote for 1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]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-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.