Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester
TL;DR: Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester (CAS 14287-60-6) is a chemical compound with molecular formula C21H30O6 and molecular weight 378.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyloxy-3,6-dioxo-5-undecylcyclohexa-1,4-dien-1-yl) acetate
Also Known As: Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester, (4-acetyloxy-3,6-dioxo-5-undecylcyclohexa-1,4-dien-1-yl) acetate
| Molecular Formula | C21H30O6 |
|---|---|
| Molecular Weight | 378.20 g/mol |
| LogP | 4.3233 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 378.20422 |
| Heavy Atoms | 27 |
| Complexity | 626.58307 |
Chemical Identifiers
| CAS Number | 14287-60-6 |
|---|---|
| SMILES | CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC(=O)C)OC(=O)C |
Product Overview
Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester (CAS 14287-60-6), with molecular formula C21H30O6 and molecular weight 378.20 g/mol. IUPAC: (4-acetyloxy-3,6-dioxo-5-undecylcyclohexa-1,4-dien-1-yl) acetate.
Chemical Property Profile of Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester
Property Insights of Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester
The XLogP value of 4.3233 indicates that Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester. Following Lipinski's Rule of Five, Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester has 0 hydrogen bond donor(s) and 6 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 Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester?
The CAS number of Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester is 14287-60-6.
What is the molecular formula of Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester?
The molecular formula of Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester is C21H30O6.
What is the molecular weight of Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester?
The molecular weight of Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester is 378.20 g/mol.
Where can I buy Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester?
You can request a quote for Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid 4-acetoxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dienyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.