![1-[4-Acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone structure](/static/products/2316/231606-77-2.webp)
1-[4-Acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone
TL;DR: 1-[4-Acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone (CAS 231606-77-2) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone
Also Known As: J1.335.150C, 1-[4-acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone, 1,1'-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrole-3,4-diyl]diethanone, 1-(3-Nitrophenyl)-2,5-dimethyl-3,4-diacetyl-1H-pyrrole, 1-[4-acetyl-2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]ethan-1-one
| Molecular Formula | C16H16N2O4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 3.40754 |
| Topological Polar Surface Area | 82.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.111 |
| Heavy Atoms | 22 |
| Complexity | 765.2174 |
Chemical Identifiers
| CAS Number | 231606-77-2 |
|---|---|
| SMILES | CC1=C(C(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)C)C(=O)C |
Product Overview
1-[4-Acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone (CAS 231606-77-2), with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol. IUPAC: 1-[4-acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone.
Chemical Property Profile of 1-[4-Acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone
Property Insights of 1-[4-Acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone
The XLogP value of 3.40754 indicates that 1-[4-Acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-Acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone. Following Lipinski's Rule of Five, 1-[4-Acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone has 0 hydrogen bond donor(s) and 4 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-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone?
The CAS number of 1-[4-Acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone is 231606-77-2.
What is the molecular formula of 1-[4-Acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone?
The molecular formula of 1-[4-Acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone is C16H16N2O4.
What is the molecular weight of 1-[4-Acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone?
The molecular weight of 1-[4-Acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone is 300.11 g/mol.
Where can I buy 1-[4-Acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone?
You can request a quote for 1-[4-Acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-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-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-Acetyl-2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.