Niravoline
TL;DR: Niravoline (CAS 130610-93-4) is a chemical compound with molecular formula C22H25N3O3 and molecular weight 379.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-(3-nitrophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]acetamide
Also Known As: Niravoline, N-methyl-2-(3-nitrophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]acetamide, n-methyl-2-(3-nitrophenyl)-n-[(2s)-2-(pyrrolidin-1-yl)-2,3-dihydro-1h-inden-1-yl]acetamide
| Molecular Formula | C22H25N3O3 |
|---|---|
| Molecular Weight | 379.19 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.1896 |
| Heavy Atoms | 28 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 130610-93-4 |
|---|---|
| SMILES | CN(C1[C@H](CC2=CC=CC=C12)N3CCCC3)C(=O)CC4=CC(=CC=C4)[N+](=O)[O-] |
| InChIKey | ZSDAQBWGAOKTSI-AIBWNMTMSA-N |
Product Overview
Niravoline (CAS 130610-93-4), with molecular formula C22H25N3O3 and molecular weight 379.19 g/mol. IUPAC: N-methyl-2-(3-nitrophenyl)-N-[(2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]acetamide.
Chemical Property Profile of Niravoline
Property Insights of Niravoline
The XLogP value of 3.3 indicates that Niravoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Niravoline. Following Lipinski's Rule of Five, Niravoline has 0 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 Niravoline?
The CAS number of Niravoline is 130610-93-4.
What is the molecular formula of Niravoline?
The molecular formula of Niravoline is C22H25N3O3.
What is the molecular weight of Niravoline?
The molecular weight of Niravoline is 379.19 g/mol.
Where can I buy Niravoline?
You can request a quote for Niravoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Niravoline?
Yes, KEHONG BIO provides custom synthesis services for Niravoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.