![4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid structure](/static/products/5644/56448-20-5.webp)
4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid
TL;DR: 4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid (CAS 56448-20-5) is a chemical compound with molecular formula C20H30O7 and molecular weight 382.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(16-methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid
Also Known As: Antibiotic A 26771B, A 26771B, 4-[[(3Z)-16-methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl]oxy]-4-oxo-butanoic acid
| Molecular Formula | C20H30O7 |
|---|---|
| Molecular Weight | 382.20 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.19916 |
| Heavy Atoms | 27 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 56448-20-5 |
|---|---|
| SMILES | CC1CCCCCCCCCC(C(=O)C=CC(=O)O1)OC(=O)CCC(=O)O |
| InChIKey | CAOCHWFVLJETKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid (CAS 56448-20-5), with molecular formula C20H30O7 and molecular weight 382.20 g/mol. IUPAC: 4-[(16-methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid.
Chemical Property Profile of 4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid
Property Insights of 4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid
The XLogP value of 3.9 indicates that 4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 7 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 4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid?
The CAS number of 4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid is 56448-20-5.
What is the molecular formula of 4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid?
The molecular formula of 4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid is C20H30O7.
What is the molecular weight of 4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid?
The molecular weight of 4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid is 382.20 g/mol.
Where can I buy 4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid?
You can request a quote for 4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(16-Methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl)oxy]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.