Pyrrolidine, 1-(2-methyl-4-nitrophenyl)-
TL;DR: Pyrrolidine, 1-(2-methyl-4-nitrophenyl)- (CAS 67828-58-4) is a chemical compound with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-4-nitrophenyl)pyrrolidine
Also Known As: 1-(2-Methyl-4-nitrophenyl)pyrrolidine, 2-Pyrrolidino-5-nitrotoluene, Pyrrolidine, 1-(2-methyl-4-nitrophenyl)-, 4-(N-Pyrrolidyl)-3-methylnitrobenzene, 5-Nitro-2-(1-pyrrolidinyl)toluene
| Molecular Formula | C11H14N2O2 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.10553 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 67828-58-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2 |
| InChIKey | GUZLPJVFYLEHSV-UHFFFAOYSA-N |
Product Overview
Pyrrolidine, 1-(2-methyl-4-nitrophenyl)- (CAS 67828-58-4), with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol. IUPAC: 1-(2-methyl-4-nitrophenyl)pyrrolidine.
Chemical Property Profile of Pyrrolidine, 1-(2-methyl-4-nitrophenyl)-
Property Insights of Pyrrolidine, 1-(2-methyl-4-nitrophenyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidine, 1-(2-methyl-4-nitrophenyl)-. With a topological polar surface area (TPSA) of 49.1 Ų, Pyrrolidine, 1-(2-methyl-4-nitrophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 1-(2-methyl-4-nitrophenyl)- 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 Pyrrolidine, 1-(2-methyl-4-nitrophenyl)-?
The CAS number of Pyrrolidine, 1-(2-methyl-4-nitrophenyl)- is 67828-58-4.
What is the molecular formula of Pyrrolidine, 1-(2-methyl-4-nitrophenyl)-?
The molecular formula of Pyrrolidine, 1-(2-methyl-4-nitrophenyl)- is C11H14N2O2.
What is the molecular weight of Pyrrolidine, 1-(2-methyl-4-nitrophenyl)-?
The molecular weight of Pyrrolidine, 1-(2-methyl-4-nitrophenyl)- is 206.11 g/mol.
Where can I buy Pyrrolidine, 1-(2-methyl-4-nitrophenyl)-?
You can request a quote for Pyrrolidine, 1-(2-methyl-4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 1-(2-methyl-4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 1-(2-methyl-4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.