Isoshyobunone
TL;DR: Isoshyobunone (CAS 21698-46-4) is a chemical compound with molecular formula C15H24O and molecular weight 220.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-propan-2-ylidenecyclohexan-1-one
Also Known As: Isoshyobunone, (-)-Isoshyobunone, isoshybunone, (3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-propan-2-ylidenecyclohexan-1-one, p-Menthan-3-one, 2-isopropylidene-1-vinyl-, (1S,4S)-
| Molecular Formula | C15H24O |
|---|---|
| Molecular Weight | 220.18 g/mol |
| LogP | 4.1502 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.18271 |
| Heavy Atoms | 16 |
| Complexity | 331.34412 |
Chemical Identifiers
| CAS Number | 21698-46-4 |
|---|---|
| SMILES | CC(C)[C@@H]1CC[C@@](C(=C(C)C)C1=O)(C)C=C |
Product Overview
Isoshyobunone (CAS 21698-46-4), with molecular formula C15H24O and molecular weight 220.18 g/mol. IUPAC: trans-(3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-propan-2-ylidenecyclohexan-1-one.
Chemical Property Profile of Isoshyobunone
Property Insights of Isoshyobunone
The XLogP value of 4.1502 indicates that Isoshyobunone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Isoshyobunone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoshyobunone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoshyobunone?
The CAS number of Isoshyobunone is 21698-46-4.
What is the molecular formula of Isoshyobunone?
The molecular formula of Isoshyobunone is C15H24O.
What is the molecular weight of Isoshyobunone?
The molecular weight of Isoshyobunone is 220.18 g/mol.
Where can I buy Isoshyobunone?
You can request a quote for Isoshyobunone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoshyobunone?
Yes, KEHONG BIO provides custom synthesis services for Isoshyobunone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.