Lutessine
TL;DR: Lutessine (CAS 102487-18-3) is a chemical compound with molecular formula C19H21NO6 and molecular weight 359.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,16R,17S,18S,19S)-16-hydroxy-17-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,14-tetraen-18-yl] acetate
Also Known As: Lutessine, Dispegatrine, (-)-Lutessine, Ungminorine 1-acetate, Ungiminorine 1-acetate
| Molecular Formula | C19H21NO6 |
|---|---|
| Molecular Weight | 359.14 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.1369 |
| Heavy Atoms | 26 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 102487-18-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@@H]2[C@H]3C(=CCN3CC4=CC5=C(C=C24)OCO5)[C@H]([C@@H]1OC)O |
| InChIKey | MOWAHCOFZKJVJP-JKEDJMADSA-N |
Product Overview
Lutessine (CAS 102487-18-3), with molecular formula C19H21NO6 and molecular weight 359.14 g/mol. IUPAC: [(1S,16R,17S,18S,19S)-16-hydroxy-17-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,14-tetraen-18-yl] acetate.
Chemical Property Profile of Lutessine
Property Insights of Lutessine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lutessine. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Lutessine. Following Lipinski's Rule of Five, Lutessine has 1 hydrogen bond donor(s) and 7 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 Lutessine?
The CAS number of Lutessine is 102487-18-3.
What is the molecular formula of Lutessine?
The molecular formula of Lutessine is C19H21NO6.
What is the molecular weight of Lutessine?
The molecular weight of Lutessine is 359.14 g/mol.
Where can I buy Lutessine?
You can request a quote for Lutessine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lutessine?
Yes, KEHONG BIO provides custom synthesis services for Lutessine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.