18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol
TL;DR: 18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol (CAS 157414-00-1) is a chemical compound with molecular formula C28H44O4 and molecular weight 444.32397 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(12R,13S)-7-(1-hydroxy-2,3-dimethylbutyl)-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-diene-12,16,18-triol
Also Known As: Mer NF8054A, KST-1A2423, 18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol, (13xi,17xi,20xi,24xi)-18,22-cycloergosta-6,8(14)-diene-3,5,9,23-tetrol, (12R,13S)-7-(1-Hydroxy-2,3-dimethylbutyl)-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-diene-12,16,18-triol
Technical Specifications
| Molecular Formula | C28H44O4 |
| Molecular Weight | 444.32397 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.32397 Da |
| Heavy Atoms | 32 |
| Complexity | 846.0 |
| SMILES | CC1C2CCC3=C4C=CC5(CC(CC[C@@]5([C@]4(CCC23CC1C(C(C)C(C)C)O)O)C)O)O |
| InChIKey | WEAFTKGZNMAOMY-YPDQMYOLSA-N |
Chemical Property Profile of 18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol
Property Insights of 18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol
The XLogP value of 3.6 indicates that 18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol. Following Lipinski's Rule of Five, 18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol?
The CAS number of 18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol is 157414-00-1.
What is the molecular formula of 18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol?
The molecular formula of 18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol is C28H44O4.
What is the molecular weight of 18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol?
The molecular weight of 18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol is 444.32397 g/mol.
Where can I buy 18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol?
You can request a quote for 18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol?
Yes, CoreyChem provides custom synthesis services for 18,22-Cycloergosta-6,8(14)-diene-3,5,9,23-tetrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.