Rockogenin
TL;DR: Rockogenin (CAS 5455-57-2) is a chemical compound with molecular formula C27H44O4 and molecular weight 432.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10,16-diol
Also Known As: Rockogenin, Rokogenin, Spirostan-3,12-diol, (25R)-5alpha-spirostan-3beta,12beta-diol, 5alpha,25alpha-Spirostan-3beta,12-diol
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 726.0 |
Chemical Identifiers
| CAS Number | 5455-57-2 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3([C@@H](C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1 |
| InChIKey | BQNMOLSYHYSCMS-TUUYSWIFSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rockogenin (CAS 5455-57-2), with molecular formula C27H44O4 and molecular weight 432.32 g/mol. IUPAC: (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10,16-diol.
Chemical Property Profile of Rockogenin
Property Insights of Rockogenin
The XLogP value of 5.1 indicates that Rockogenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Rockogenin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rockogenin has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rockogenin?
The CAS number of Rockogenin is 5455-57-2.
What is the molecular formula of Rockogenin?
The molecular formula of Rockogenin is C27H44O4.
What is the molecular weight of Rockogenin?
The molecular weight of Rockogenin is 432.32 g/mol.
Where can I buy Rockogenin?
You can request a quote for Rockogenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rockogenin?
Yes, KEHONG BIO provides custom synthesis services for Rockogenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.