Rubiatriol
TL;DR: Rubiatriol (CAS 107694-02-0) is a chemical compound with molecular formula C30H50O2 and molecular weight 442.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-1,9-diol
Also Known As: Rubiatriol, (1R,3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-Hexamethyl-3-(propan-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-1,9-diol, (1R,3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-1,9-diol, 3a,5a,8,8,11a,13a-Hexamethyl-3-(propan-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-1,9-diol
| Molecular Formula | C30H50O2 |
|---|---|
| Molecular Weight | 442.38 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 442.38107 |
| Heavy Atoms | 32 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 107694-02-0 |
|---|---|
| SMILES | CC(C)[C@H]1C[C@H]([C@@H]2[C@@]1(CC[C@]3([C@]2(CC=C4[C@@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)C)O |
| InChIKey | SEUSNJUQUVUXAA-UACPZPFXSA-N |
Product Overview
Rubiatriol (CAS 107694-02-0), with molecular formula C30H50O2 and molecular weight 442.38 g/mol. IUPAC: (1R,3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-1,9-diol.
Chemical Property Profile of Rubiatriol
Property Insights of Rubiatriol
The XLogP value of 7.7 indicates that Rubiatriol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Rubiatriol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rubiatriol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rubiatriol?
The CAS number of Rubiatriol is 107694-02-0.
What is the molecular formula of Rubiatriol?
The molecular formula of Rubiatriol is C30H50O2.
What is the molecular weight of Rubiatriol?
The molecular weight of Rubiatriol is 442.38 g/mol.
Where can I buy Rubiatriol?
You can request a quote for Rubiatriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rubiatriol?
Yes, KEHONG BIO provides custom synthesis services for Rubiatriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.