Pronuciferine
TL;DR: Pronuciferine (CAS 2128-60-1) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
Also Known As: Pronuciferine, Milthanthine, Pronuciferin, (+)-Pronuciferine, N-Methylstepharine
| Molecular Formula | C19H21NO3 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.15213 |
| Heavy Atoms | 23 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 2128-60-1 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@H]1CC34C=CC(=O)C=C4)OC)OC |
| InChIKey | WUYQEGNOQLRQAQ-CQSZACIVSA-N |
Product Overview
Pronuciferine (CAS 2128-60-1), with molecular formula C19H21NO3 and molecular weight 311.15 g/mol. IUPAC: (4R)-10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one.
Chemical Property Profile of Pronuciferine
Property Insights of Pronuciferine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pronuciferine. With a topological polar surface area (TPSA) of 38.8 Ų, Pronuciferine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pronuciferine 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 Pronuciferine?
The CAS number of Pronuciferine is 2128-60-1.
What is the molecular formula of Pronuciferine?
The molecular formula of Pronuciferine is C19H21NO3.
What is the molecular weight of Pronuciferine?
The molecular weight of Pronuciferine is 311.15 g/mol.
Where can I buy Pronuciferine?
You can request a quote for Pronuciferine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pronuciferine?
Yes, KEHONG BIO provides custom synthesis services for Pronuciferine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.