Tomatidine
TL;DR: Tomatidine (CAS 77-59-8) is a chemical compound with molecular formula C27H45NO2 and molecular weight 415.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-ol
Also Known As: Tomatidine, Tomatidin, 5alpha-Tomatidan-3beta-ol, 3-CHLOROPENTANE, TOMATIDINE [MI]
| Molecular Formula | C27H45NO2 |
|---|---|
| Molecular Weight | 415.35 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 415.34503 |
| Heavy Atoms | 30 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 77-59-8 |
|---|---|
| SMILES | C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1 |
| InChIKey | XYNPYHXGMWJBLV-VXPJTDKGSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tomatidine (CAS 77-59-8), with molecular formula C27H45NO2 and molecular weight 415.35 g/mol. IUPAC: (1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-ol.
Chemical Property Profile of Tomatidine
Property Insights of Tomatidine
The XLogP value of 6.2 indicates that Tomatidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, Tomatidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tomatidine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tomatidine?
The CAS number of Tomatidine is 77-59-8.
What is the molecular formula of Tomatidine?
The molecular formula of Tomatidine is C27H45NO2.
What is the molecular weight of Tomatidine?
The molecular weight of Tomatidine is 415.35 g/mol.
Where can I buy Tomatidine?
You can request a quote for Tomatidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tomatidine?
Yes, KEHONG BIO provides custom synthesis services for Tomatidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.