2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline
TL;DR: 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline (CAS 346459-41-4) is a chemical compound with molecular formula C20H25N3O2 and molecular weight 339.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline
Also Known As: 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline, 2-nitro-N-(4-phenylbutan-2-yl)-5-(pyrrolidin-1-yl)aniline, A2374/0100400, (1-methyl-3-phenylpropyl)(2-nitro-5-pyrrolidinylphenyl)amine
| Molecular Formula | C20H25N3O2 |
|---|---|
| Molecular Weight | 339.19 g/mol |
| LogP | 4.6282 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.19467 |
| Heavy Atoms | 25 |
| Complexity | 712.1361 |
Chemical Identifiers
| CAS Number | 346459-41-4 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-] |
Product Overview
2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline (CAS 346459-41-4), with molecular formula C20H25N3O2 and molecular weight 339.19 g/mol. IUPAC: 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline.
Chemical Property Profile of 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline
Property Insights of 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline
The XLogP value of 4.6282 indicates that 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.41 Ų, 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline has 1 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 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline?
The CAS number of 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline is 346459-41-4.
What is the molecular formula of 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline?
The molecular formula of 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline is C20H25N3O2.
What is the molecular weight of 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline?
The molecular weight of 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline is 339.19 g/mol.
Where can I buy 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline?
You can request a quote for 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-nitro-N-(4-phenylbutan-2-yl)-5-pyrrolidin-1-ylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.