Retronecine
TL;DR: Retronecine (CAS 480-85-3) is a chemical compound with molecular formula C8H13NO2 and molecular weight 155.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol
Also Known As: RETRONECINE, Senecifolinene, Retronecin, (+)-Retronecine, Heliotridine
| Molecular Formula | C8H13NO2 |
|---|---|
| Molecular Weight | 155.09 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.09464 |
| Heavy Atoms | 11 |
| Complexity | 191.0 |
| Melting Point | 119-120 °C |
| Boiling Point | 80 °C @ 0.01 mm Hg |
| Solubility | Very sol in water, alc; sol in acetone; slightly sol in ether |
| Vapor Pressure | 1.5X10-5 mm Hg @ 25 °C /Estimated/ |
Chemical Identifiers
| CAS Number | 480-85-3 |
|---|---|
| SMILES | C1CN2CC=C([C@@H]2[C@@H]1O)CO |
| InChIKey | HJSJELVDQOXCHO-HTQZYQBOSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Retronecine (CAS 480-85-3), with molecular formula C8H13NO2 and molecular weight 155.09 g/mol. IUPAC: (1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol.
Chemical Property Profile of Retronecine
Property Insights of Retronecine
The XLogP value of -1.3 indicates that Retronecine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.7 Ų, Retronecine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Retronecine has 2 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 Retronecine?
The CAS number of Retronecine is 480-85-3.
What is the molecular formula of Retronecine?
The molecular formula of Retronecine is C8H13NO2.
What is the molecular weight of Retronecine?
The molecular weight of Retronecine is 155.09 g/mol.
Where can I buy Retronecine?
You can request a quote for Retronecine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Retronecine?
Yes, KEHONG BIO provides custom synthesis services for Retronecine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.