Icaceine
TL;DR: Icaceine (CAS 74991-71-2) is a chemical compound with molecular formula C22H33NO4 and molecular weight 375.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,12R,15R,16S,19R)-6-(dimethylamino)-16-hydroxy-1,5,15-trimethyl-8,13-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-10-en-14-one
Also Known As: Icaceine, (1R,12R,15R,16S,19R)-6-(dimethylamino)-16-hydroxy-1,5,15-trimethyl-8,13-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-10-en-14-one, (3beta,6beta,9xi,13xi)-15-(dimethylamino)-3-hydroxy-6,18:14,16-diepoxypimar-7-en-18-one, (9xi,13xi)-15-(Dimethylamino)-3beta-hydroxy-6beta-6,18:14,16-diepoxypimar-7-en-18-one, (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
| Molecular Formula | C22H33NO4 |
|---|---|
| Molecular Weight | 375.24 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 375.24097 |
| Heavy Atoms | 27 |
| Complexity | 719.0 |
Chemical Identifiers
| CAS Number | 74991-71-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H]([C@]3([C@@H]1[C@@H](C=C4C2CCC5(C4OCC5N(C)C)C)OC3=O)C)O |
| InChIKey | MRVMMDQTZLIFLF-IQTYJBGDSA-N |
Product Overview
Icaceine (CAS 74991-71-2), with molecular formula C22H33NO4 and molecular weight 375.24 g/mol. IUPAC: (1R,12R,15R,16S,19R)-6-(dimethylamino)-16-hydroxy-1,5,15-trimethyl-8,13-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-10-en-14-one.
Chemical Property Profile of Icaceine
Property Insights of Icaceine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Icaceine. With a topological polar surface area (TPSA) of 59.0 Ų, Icaceine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Icaceine has 1 hydrogen bond donor(s) and 5 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 Icaceine?
The CAS number of Icaceine is 74991-71-2.
What is the molecular formula of Icaceine?
The molecular formula of Icaceine is C22H33NO4.
What is the molecular weight of Icaceine?
The molecular weight of Icaceine is 375.24 g/mol.
Where can I buy Icaceine?
You can request a quote for Icaceine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Icaceine?
Yes, KEHONG BIO provides custom synthesis services for Icaceine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.