(+)-Tirucallol
TL;DR: (+)-Tirucallol (CAS 514-46-5) is a chemical compound with molecular formula C30H50O and molecular weight 426.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: tirucalladienol, (+)-Tirucallol, Euphadienol, Kanzuiol, 20-Epi-Euphol
| Molecular Formula | C30H50O |
|---|---|
| Molecular Weight | 426.39 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.38617 |
| Heavy Atoms | 31 |
| Complexity | 767.0 |
| Melting Point | 133 - 134.5 °C |
Chemical Identifiers
| CAS Number | 514-46-5 |
|---|---|
| SMILES | C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C |
| InChIKey | CAHGCLMLTWQZNJ-HGKXYCPESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+)-Tirucallol (CAS 514-46-5), with molecular formula C30H50O and molecular weight 426.39 g/mol. IUPAC: (3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of (+)-Tirucallol
Property Insights of (+)-Tirucallol
The XLogP value of 8.9 indicates that (+)-Tirucallol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, (+)-Tirucallol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-Tirucallol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (+)-Tirucallol?
The CAS number of (+)-Tirucallol is 514-46-5.
What is the molecular formula of (+)-Tirucallol?
The molecular formula of (+)-Tirucallol is C30H50O.
What is the molecular weight of (+)-Tirucallol?
The molecular weight of (+)-Tirucallol is 426.39 g/mol.
Where can I buy (+)-Tirucallol?
You can request a quote for (+)-Tirucallol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Tirucallol?
Yes, KEHONG BIO provides custom synthesis services for (+)-Tirucallol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.