![2-nitro-N-[(4-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline structure](/static/products/3126/312628-75-4.webp)
2-nitro-N-[(4-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline
TL;DR: 2-nitro-N-[(4-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline (CAS 312628-75-4) 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-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline
Also Known As: BIM-0047245.P001, 2-nitro-N-[(4-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline, (4-isopropylbenzyl)[2-nitro-5-(1-pyrrolidinyl)phenyl]amine, (4-isopropylbenzyl)-(2-nitro-5-pyrrolidino-phenyl)amine, 2-nitro-N-[4-(propan-2-yl)benzyl]-5-(pyrrolidin-1-yl)aniline
| Molecular Formula | C20H25N3O2 |
|---|---|
| Molecular Weight | 339.19 g/mol |
| LogP | 4.9305 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.19467 |
| Heavy Atoms | 25 |
| Complexity | 735.1065 |
Chemical Identifiers
| CAS Number | 312628-75-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)N3CCCC3)[N+](=O)[O-] |
Product Overview
2-nitro-N-[(4-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline (CAS 312628-75-4), with molecular formula C20H25N3O2 and molecular weight 339.19 g/mol. IUPAC: 2-nitro-N-[(4-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline.
Chemical Property Profile of 2-nitro-N-[(4-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline
Property Insights of 2-nitro-N-[(4-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline
The XLogP value of 4.9305 indicates that 2-nitro-N-[(4-propan-2-ylphenyl)methyl]-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-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-nitro-N-[(4-propan-2-ylphenyl)methyl]-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-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline?
The CAS number of 2-nitro-N-[(4-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline is 312628-75-4.
What is the molecular formula of 2-nitro-N-[(4-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline?
The molecular formula of 2-nitro-N-[(4-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline is C20H25N3O2.
What is the molecular weight of 2-nitro-N-[(4-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline?
The molecular weight of 2-nitro-N-[(4-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline is 339.19 g/mol.
Where can I buy 2-nitro-N-[(4-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline?
You can request a quote for 2-nitro-N-[(4-propan-2-ylphenyl)methyl]-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-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-nitro-N-[(4-propan-2-ylphenyl)methyl]-5-pyrrolidin-1-ylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.