(3-Methyl-4-nitrophenyl)(pyrrolidin-1-yl)methanone
TL;DR: (3-Methyl-4-nitrophenyl)(pyrrolidin-1-yl)methanone (CAS 333350-52-0) 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.
(3-methyl-4-nitrophenyl)-pyrrolidin-1-ylmethanone
Also Known As: 1-(3-methyl-4-nitrobenzoyl)pyrrolidine, BAS 00785312, (3-methyl-4-nitrophenyl)(pyrrolidin-1-yl)methanone, 3-methyl-4-nitrophenyl pyrrolidinyl ketone, (3-methyl-4-nitrophenyl)-pyrrolidin-1-ylmethanone
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 2.13922 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 464.81857 |
Chemical Identifiers
| CAS Number | 333350-52-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)N2CCCC2)[N+](=O)[O-] |
Product Overview
(3-Methyl-4-nitrophenyl)(pyrrolidin-1-yl)methanone (CAS 333350-52-0), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: (3-methyl-4-nitrophenyl)-pyrrolidin-1-ylmethanone.
Chemical Property Profile of (3-Methyl-4-nitrophenyl)(pyrrolidin-1-yl)methanone
Property Insights of (3-Methyl-4-nitrophenyl)(pyrrolidin-1-yl)methanone
The XLogP value of 2.13922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methyl-4-nitrophenyl)(pyrrolidin-1-yl)methanone. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Methyl-4-nitrophenyl)(pyrrolidin-1-yl)methanone. Following Lipinski's Rule of Five, (3-Methyl-4-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 (3-Methyl-4-nitrophenyl)(pyrrolidin-1-yl)methanone?
The CAS number of (3-Methyl-4-nitrophenyl)(pyrrolidin-1-yl)methanone is 333350-52-0.
What is the molecular formula of (3-Methyl-4-nitrophenyl)(pyrrolidin-1-yl)methanone?
The molecular formula of (3-Methyl-4-nitrophenyl)(pyrrolidin-1-yl)methanone is C12H14N2O3.
What is the molecular weight of (3-Methyl-4-nitrophenyl)(pyrrolidin-1-yl)methanone?
The molecular weight of (3-Methyl-4-nitrophenyl)(pyrrolidin-1-yl)methanone is 234.10 g/mol.
Where can I buy (3-Methyl-4-nitrophenyl)(pyrrolidin-1-yl)methanone?
You can request a quote for (3-Methyl-4-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 (3-Methyl-4-nitrophenyl)(pyrrolidin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-Methyl-4-nitrophenyl)(pyrrolidin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.