4-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid
TL;DR: 4-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid (CAS 60427-77-2) is a chemical compound with molecular formula C13H14O5 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methoxyphenyl)methoxy]-2-methylidene-4-oxobutanoic acid
Also Known As: 4-(4-Methoxybenzyl) Itaconate, 4-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid, p-Methoxybenzylitaconsaeure, 2,6-decahydronaphthalenediol, 4(4-methoxybenzyl) itaconate
| Molecular Formula | C13H14O5 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.7693 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.08412 |
| Heavy Atoms | 18 |
| Complexity | 446.95435 |
Chemical Identifiers
| CAS Number | 60427-77-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)COC(=O)CC(=C)C(=O)O |
Product Overview
4-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid (CAS 60427-77-2), with molecular formula C13H14O5 and molecular weight 250.08 g/mol. IUPAC: 4-[(4-methoxyphenyl)methoxy]-2-methylidene-4-oxobutanoic acid.
Chemical Property Profile of 4-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid
Property Insights of 4-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid
The XLogP value of 1.7693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 4 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-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid?
The CAS number of 4-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid is 60427-77-2.
What is the molecular formula of 4-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid?
The molecular formula of 4-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid is C13H14O5.
What is the molecular weight of 4-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid?
The molecular weight of 4-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid is 250.08 g/mol.
Where can I buy 4-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid?
You can request a quote for 4-((4-Methoxybenzyl)oxy)-2-methylene-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-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Methoxybenzyl)oxy)-2-methylene-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.