Cornudentanone
TL;DR: Cornudentanone (CAS 110979-06-1) is a chemical compound with molecular formula C22H34O5 and molecular weight 378.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)tridecan-2-yl acetate
Also Known As: Cornudentanone, 1-(5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)tridecan-2-yl acetate, 1-[(5-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl]dodecyl acetate
| Molecular Formula | C22H34O5 |
|---|---|
| Molecular Weight | 378.24 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 378.24063 |
| Heavy Atoms | 27 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 110979-06-1 |
|---|---|
| SMILES | CCCCCCCCCCCC(CC1=CC(=O)C=C(C1=O)OC)OC(=O)C |
| InChIKey | JIUGZSYPFREDLG-UHFFFAOYSA-N |
Product Overview
Cornudentanone (CAS 110979-06-1), with molecular formula C22H34O5 and molecular weight 378.24 g/mol. IUPAC: 1-(5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)tridecan-2-yl acetate.
Chemical Property Profile of Cornudentanone
Property Insights of Cornudentanone
The XLogP value of 6.0 indicates that Cornudentanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Cornudentanone. Following Lipinski's Rule of Five, Cornudentanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cornudentanone?
The CAS number of Cornudentanone is 110979-06-1.
What is the molecular formula of Cornudentanone?
The molecular formula of Cornudentanone is C22H34O5.
What is the molecular weight of Cornudentanone?
The molecular weight of Cornudentanone is 378.24 g/mol.
Where can I buy Cornudentanone?
You can request a quote for Cornudentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cornudentanone?
Yes, KEHONG BIO provides custom synthesis services for Cornudentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.