(4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone
TL;DR: (4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone (CAS 329059-83-8) 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.
(4-methyl-3-nitrophenyl)-pyrrolidin-1-ylmethanone
Also Known As: (4-methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone, 1-(4-methyl-3-nitrobenzoyl)pyrrolidine, BAS 00500544, 4-methyl-3-nitrophenyl pyrrolidinyl ketone, (4-methyl-3-nitrophenyl)-pyrrolidin-1-ylmethanone
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 329059-83-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCCC2)[N+](=O)[O-] |
| InChIKey | FFWFXTHRGQCEQD-UHFFFAOYSA-N |
Product Overview
(4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone (CAS 329059-83-8), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: (4-methyl-3-nitrophenyl)-pyrrolidin-1-ylmethanone.
Chemical Property Profile of (4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone
Property Insights of (4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone. Following Lipinski's Rule of Five, (4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone has 0 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 (4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone?
The CAS number of (4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone is 329059-83-8.
What is the molecular formula of (4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone?
The molecular formula of (4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone is C12H14N2O3.
What is the molecular weight of (4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone?
The molecular weight of (4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone is 234.10 g/mol.
Where can I buy (4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone?
You can request a quote for (4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-3-nitrophenyl)(pyrrolidin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.