Shionone
TL;DR: Shionone (CAS 10376-48-4) 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.
(1R,4bS,6aS,8R,10aR,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-enyl)-1,3,4,4a,5,6,7,9,10,10b,11,12-dodecahydrochrysen-2-one
Also Known As: Shionone, I07-0143, 1,4b,6a,8,10a,12a-Hexamethyl-8-(4-methylpent-3-en-1-yl)hexadecahydrochrysen-2(1H)-one, (1R,4bS,6aS,8R,10aR,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-en-1-yl)hexadecahydrochrysen-2(1H)-one, (1R,4bS,6aS,8R,10aR,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-enyl)-1,3,4,4a,5,6,7,9,10,10b,11,12-dodecahydrochrysen-2-one
| Molecular Formula | C30H50O |
|---|---|
| Molecular Weight | 426.39 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.38617 |
| Heavy Atoms | 31 |
| Complexity | 760.0 |
Chemical Identifiers
| CAS Number | 10376-48-4 |
|---|---|
| SMILES | C[C@H]1C(=O)CCC2[C@@]1(CCC3[C@]2(CC[C@@]4([C@@]3(CC[C@@](C4)(C)CCC=C(C)C)C)C)C)C |
| InChIKey | HXPXUNQUXCHJLL-PYOYDRRISA-N |
Product Overview
Shionone (CAS 10376-48-4), with molecular formula C30H50O and molecular weight 426.39 g/mol. IUPAC: (1R,4bS,6aS,8R,10aR,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-enyl)-1,3,4,4a,5,6,7,9,10,10b,11,12-dodecahydrochrysen-2-one.
Chemical Property Profile of Shionone
Property Insights of Shionone
The XLogP value of 10.0 indicates that Shionone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Shionone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Shionone has 0 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 Shionone?
The CAS number of Shionone is 10376-48-4.
What is the molecular formula of Shionone?
The molecular formula of Shionone is C30H50O.
What is the molecular weight of Shionone?
The molecular weight of Shionone is 426.39 g/mol.
Where can I buy Shionone?
You can request a quote for Shionone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Shionone?
Yes, KEHONG BIO provides custom synthesis services for Shionone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.