1-(3-Nitro-4-pyrrolidin-1-ylphenyl)ethanone
TL;DR: 1-(3-Nitro-4-pyrrolidin-1-ylphenyl)ethanone (CAS 887595-31-5) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitro-4-pyrrolidin-1-ylphenyl)ethanone
Also Known As: 1-(3-nitro-4-pyrrolidin-1-ylphenyl)ethanone, 1- -ETHANONE, 1-(3-Nitro-4-(pyrrolidin-1-yl)phenyl)ethanone, 1-(3-NITRO-4-PYRROLIDIN-1-YL-PHENYL)-ETHANONE, 1-(3-nitro-4-pyrrolidin-1-yl-phenyl)ethanone
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 2.3976 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 464.81857 |
Chemical Identifiers
| CAS Number | 887595-31-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-] |
Product Overview
1-(3-Nitro-4-pyrrolidin-1-ylphenyl)ethanone (CAS 887595-31-5), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: 1-(3-nitro-4-pyrrolidin-1-ylphenyl)ethanone.
Chemical Property Profile of 1-(3-Nitro-4-pyrrolidin-1-ylphenyl)ethanone
Property Insights of 1-(3-Nitro-4-pyrrolidin-1-ylphenyl)ethanone
The XLogP value of 2.3976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Nitro-4-pyrrolidin-1-ylphenyl)ethanone. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitro-4-pyrrolidin-1-ylphenyl)ethanone. Following Lipinski's Rule of Five, 1-(3-Nitro-4-pyrrolidin-1-ylphenyl)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-(3-Nitro-4-pyrrolidin-1-ylphenyl)ethanone?
The CAS number of 1-(3-Nitro-4-pyrrolidin-1-ylphenyl)ethanone is 887595-31-5.
What is the molecular formula of 1-(3-Nitro-4-pyrrolidin-1-ylphenyl)ethanone?
The molecular formula of 1-(3-Nitro-4-pyrrolidin-1-ylphenyl)ethanone is C12H14N2O3.
What is the molecular weight of 1-(3-Nitro-4-pyrrolidin-1-ylphenyl)ethanone?
The molecular weight of 1-(3-Nitro-4-pyrrolidin-1-ylphenyl)ethanone is 234.10 g/mol.
Where can I buy 1-(3-Nitro-4-pyrrolidin-1-ylphenyl)ethanone?
You can request a quote for 1-(3-Nitro-4-pyrrolidin-1-ylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Nitro-4-pyrrolidin-1-ylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitro-4-pyrrolidin-1-ylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.