1-(4-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone
TL;DR: 1-(4-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone (CAS 25555-23-1) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-2-pyrrolidin-1-yliminoethanone
Also Known As: 4'-Nitro-2-(1-pyrrolidinylimino)acetophenone, 1-(4-nitrophenyl)-2-pyrrolidin-1-yliminoethanone, Ethanone,1-(4-nitrophenyl)-2-(1-pyrrolidinylimino)-, ACETOPHENONE, 4'-NITRO-2-(1-PYRROLIDINYLIMINO)-
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 25555-23-1 |
|---|---|
| SMILES | C1CCN(C1)N=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | MMISGYGYGXBMMS-UHFFFAOYSA-N |
Product Overview
1-(4-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone (CAS 25555-23-1), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: 1-(4-nitrophenyl)-2-pyrrolidin-1-yliminoethanone.
Chemical Property Profile of 1-(4-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone
Property Insights of 1-(4-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone has 0 hydrogen bond donor(s) and 5 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-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone?
The CAS number of 1-(4-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone is 25555-23-1.
What is the molecular formula of 1-(4-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone?
The molecular formula of 1-(4-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone is C12H13N3O3.
What is the molecular weight of 1-(4-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone?
The molecular weight of 1-(4-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone is 247.10 g/mol.
Where can I buy 1-(4-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone?
You can request a quote for 1-(4-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-2-pyrrolidin-1-yliminoethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.