Isotirucallol
TL;DR: Isotirucallol (CAS 138663-97-5) is a chemical compound with molecular formula C30H50O and molecular weight 426.38617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,5R,8R,9R,10R,14S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Isotirucallol, Isoeuphol, (20S)-Dammara-13(17),24-dien-3 beta-ol, (20S)-5alpha-Dammara-13(17),24-dien-3beta-ol, (3s,5r,8r,9r,10r,14s)-17-[(1s)-1,5-dimethylhex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-ol
Technical Specifications
| Molecular Formula | C30H50O |
| Molecular Weight | 426.38617 g/mol |
| XLogP | 8.8 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.38617 Da |
| Heavy Atoms | 31 |
| Complexity | 767.0 |
| SMILES | C[C@@H](CCC=C(C)C)C1=C2CC[C@@H]3[C@]4(CC[C@@H](C([C@@H]4CC[C@]3([C@@]2(CC1)C)C)(C)C)O)C |
| InChIKey | ISSSGGUZUSDMCE-REQHHNRLSA-N |
Chemical Property Profile of Isotirucallol
Property Insights of Isotirucallol
The XLogP value of 8.8 indicates that Isotirucallol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Isotirucallol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isotirucallol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Isotirucallol?
The CAS number of Isotirucallol is 138663-97-5.
What is the molecular formula of Isotirucallol?
The molecular formula of Isotirucallol is C30H50O.
What is the molecular weight of Isotirucallol?
The molecular weight of Isotirucallol is 426.38617 g/mol.
Where can I buy Isotirucallol?
You can request a quote for Isotirucallol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isotirucallol?
Yes, CoreyChem provides custom synthesis services for Isotirucallol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.