4-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride
TL;DR: 4-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride (CAS 21282-96-2) is a chemical compound with molecular formula C9H12O5 and molecular weight 200.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxobutanoyl 4-hydroxy-2-methylidenebutanoate
Also Known As: 2-Acetoacetoxyethyl acrylate, 2-Hydroxyethyl acetoacetate acrylate, 3-oxobutanoyl 4-hydroxy-2-methylidenebutanoate, 2-(ACRYLOYLOXY)ETHYLACETOACETATE, Akryloyloxyethylester kyseliny acetoctove
| Molecular Formula | C9H12O5 |
|---|---|
| Molecular Weight | 200.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 200.06847 |
| Heavy Atoms | 14 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 21282-96-2 |
|---|---|
| SMILES | CC(=O)CC(=O)OC(=O)C(=C)CCO |
| InChIKey | ZGLJYJVYUYQOHR-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride (CAS 21282-96-2), with molecular formula C9H12O5 and molecular weight 200.07 g/mol. IUPAC: 3-oxobutanoyl 4-hydroxy-2-methylidenebutanoate.
Chemical Property Profile of 4-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride
Property Insights of 4-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride
The XLogP value of -0.1 indicates that 4-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride. Following Lipinski's Rule of Five, 4-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride has 1 hydrogen bond donor(s) and 5 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-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride?
The CAS number of 4-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride is 21282-96-2.
What is the molecular formula of 4-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride?
The molecular formula of 4-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride is C9H12O5.
What is the molecular weight of 4-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride?
The molecular weight of 4-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride is 200.07 g/mol.
Where can I buy 4-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride?
You can request a quote for 4-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2-methylidenebutanoic 3-oxobutanoic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.