Icacinol
TL;DR: Icacinol (CAS 96881-05-9) is a chemical compound with molecular formula C20H26O7 and molecular weight 378.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5S,6S,9S,12R,15R,16S)-6,9,16-trihydroxy-5,15-dimethyl-8,13,17-trioxahexacyclo[14.2.2.11,12.02,10.05,9.015,21]henicos-10-en-14-one
Also Known As: Icacinol, (-)-Icacinol, (2S,5S,6S,9S,12R,15R,16S)-6,9,16-trihydroxy-5,15-dimethyl-8,13,17-trioxahexacyclo[14.2.2.11,12.02,10.05,9.015,21]henicos-10-en-14-one, (3S,3aS,5aS,8S,8aR,10aR,11bS)-3,8,11b-Trihydroxy-3a,8a-dimethyl-2,3,3a,5,5a,6,7,8,8a,10a,10b,11b-dodecahydro-4H,9H-8,5b-(epoxymethano)phenanthro[1,2-b:9,8-b'c']difuran-9-one, 3,8,11b-Trihydroxy-3a,8a-dimethyl-2,3,3a,5,5a,6,7,8,8a,10a,10b,11b-dodecahydro-4H,9H-8,5b-(epoxymethano)phenanthro[1,2-b:9,8-b'c']difuran-9-one
| Molecular Formula | C20H26O7 |
|---|---|
| Molecular Weight | 378.17 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 378.16785 |
| Heavy Atoms | 27 |
| Complexity | 795.0 |
Chemical Identifiers
| CAS Number | 96881-05-9 |
|---|---|
| SMILES | C[C@@]12CC[C@@H]3C(=C[C@@H]4C5C36CC[C@@]([C@@]5(C(=O)O4)C)(OC6)O)[C@@]1(OC[C@H]2O)O |
| InChIKey | ZILYDLLIUSDBSE-HQFXXGJXSA-N |
Product Overview
Icacinol (CAS 96881-05-9), with molecular formula C20H26O7 and molecular weight 378.17 g/mol. IUPAC: (2S,5S,6S,9S,12R,15R,16S)-6,9,16-trihydroxy-5,15-dimethyl-8,13,17-trioxahexacyclo[14.2.2.11,12.02,10.05,9.015,21]henicos-10-en-14-one.
Chemical Property Profile of Icacinol
Property Insights of Icacinol
The XLogP value of -0.5 indicates that Icacinol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Icacinol. Following Lipinski's Rule of Five, Icacinol has 3 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 Icacinol?
The CAS number of Icacinol is 96881-05-9.
What is the molecular formula of Icacinol?
The molecular formula of Icacinol is C20H26O7.
What is the molecular weight of Icacinol?
The molecular weight of Icacinol is 378.17 g/mol.
Where can I buy Icacinol?
You can request a quote for Icacinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Icacinol?
Yes, KEHONG BIO provides custom synthesis services for Icacinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.