Annuionone C
TL;DR: Annuionone C (CAS 211183-74-3) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-one
Also Known As: Annuionone C, 4,5-Dihydroblumel A, 5,6-Epoxy-9-hydroxy-7-megastigmen-3-one, 6-[(E)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-one, 1-[(E)-3-hydroxybut-1-enyl]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-one
| Molecular Formula | C13H20O3 |
|---|---|
| Molecular Weight | 224.14 g/mol |
| LogP | 1.8402 |
| Topological Polar Surface Area | 49.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.14125 |
| Heavy Atoms | 16 |
| Complexity | 356.1892 |
Chemical Identifiers
| CAS Number | 211183-74-3 |
|---|---|
| SMILES | CC(/C=C/C12C(CC(=O)CC1(O2)C)(C)C)O |
Product Overview
Annuionone C (CAS 211183-74-3), with molecular formula C13H20O3 and molecular weight 224.14 g/mol. IUPAC: 6-[(E)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-one.
Chemical Property Profile of Annuionone C
Property Insights of Annuionone C
The XLogP value of 1.8402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Annuionone C. With a topological polar surface area (TPSA) of 49.83 Ų, Annuionone C exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Annuionone C has 1 hydrogen bond donor(s) and 3 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 Annuionone C?
The CAS number of Annuionone C is 211183-74-3.
What is the molecular formula of Annuionone C?
The molecular formula of Annuionone C is C13H20O3.
What is the molecular weight of Annuionone C?
The molecular weight of Annuionone C is 224.14 g/mol.
Where can I buy Annuionone C?
You can request a quote for Annuionone C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Annuionone C?
Yes, KEHONG BIO provides custom synthesis services for Annuionone C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.