(+)-Icacenone
TL;DR: (+)-Icacenone (CAS 99624-07-4) is a chemical compound with molecular formula C19H20O7 and molecular weight 360.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,10R,12R,15R,16R,19S)-16,19-dihydroxy-15-methyl-8,13,17-trioxahexacyclo[14.2.2.11,12.02,10.05,9.015,21]henicosa-5(9),6-diene-4,14-dione
Also Known As: Icacenone, (+)-Icacenone, (5aR,6S,8R,8aR,10aR,11aR)-6,8-Dihydroxy-8a-methyl-5,5a,6,7,8,8a,10a,10b,11,11a-decahydro-4H,9H-8,5b-(epoxymethano)phenanthro[1,2-b:9,8-b'c']difuran-4,9-dione, 18-Nor-15-oxaandrosta-13,16-diene-4-carboxylic acid, 3,19-epoxy-2,3,6-trihydroxy-4-methyl-12-oxo-, 4,6-lactone, (2beta,3beta,4beta,5alpha,6beta,9beta)-, 6,8-Dihydroxy-8a-methyl-5,5a,6,7,8,8a,10a,10b,11,11a-decahydro-4H,9H-8,5b-(epoxymethano)phenanthro[1,2-b:9,8-b'c']difuran-4,9-dione
| Molecular Formula | C19H20O7 |
|---|---|
| Molecular Weight | 360.12 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 360.1209 |
| Heavy Atoms | 26 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 99624-07-4 |
|---|---|
| SMILES | C[C@@]12C3[C@@H](C[C@@H]4[C@H](C35CO[C@@]1(C[C@@H]5O)O)CC(=O)C6=C4OC=C6)OC2=O |
| InChIKey | POJPBRCLRBSNJB-DPMWGAQSSA-N |
Product Overview
(+)-Icacenone (CAS 99624-07-4), with molecular formula C19H20O7 and molecular weight 360.12 g/mol. IUPAC: (2R,10R,12R,15R,16R,19S)-16,19-dihydroxy-15-methyl-8,13,17-trioxahexacyclo[14.2.2.11,12.02,10.05,9.015,21]henicosa-5(9),6-diene-4,14-dione.
Chemical Property Profile of (+)-Icacenone
Property Insights of (+)-Icacenone
The XLogP value of -0.2 indicates that (+)-Icacenone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (+)-Icacenone. Following Lipinski's Rule of Five, (+)-Icacenone has 2 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 (+)-Icacenone?
The CAS number of (+)-Icacenone is 99624-07-4.
What is the molecular formula of (+)-Icacenone?
The molecular formula of (+)-Icacenone is C19H20O7.
What is the molecular weight of (+)-Icacenone?
The molecular weight of (+)-Icacenone is 360.12 g/mol.
Where can I buy (+)-Icacenone?
You can request a quote for (+)-Icacenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Icacenone?
Yes, KEHONG BIO provides custom synthesis services for (+)-Icacenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.