4-Carboxymethyl-4-methylbut-2-en-1,4-olide
TL;DR: 4-Carboxymethyl-4-methylbut-2-en-1,4-olide (CAS 70441-90-6) is a chemical compound with molecular formula C7H8O4 and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-5-oxofuran-2-yl)acetic acid
Also Known As: 4-Methylmuconolactone, 4-Carboxymethyl-4-methylbut-2-en-1,4-olide, 2-(2-methyl-5-oxofuran-2-yl)acetic acid, 5-carboxymethyl-5-methylfuran-2(5H)-one, methyl 2-(5-oxo-2H-furan-2-yl)acetate
| Molecular Formula | C7H8O4 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.04225 |
| Heavy Atoms | 11 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 70441-90-6 |
|---|---|
| SMILES | CC1(C=CC(=O)O1)CC(=O)O |
| InChIKey | FIKLRROSHXQNFN-UHFFFAOYSA-N |
Product Overview
4-Carboxymethyl-4-methylbut-2-en-1,4-olide (CAS 70441-90-6), with molecular formula C7H8O4 and molecular weight 156.04 g/mol. IUPAC: 2-(2-methyl-5-oxofuran-2-yl)acetic acid.
Chemical Property Profile of 4-Carboxymethyl-4-methylbut-2-en-1,4-olide
Property Insights of 4-Carboxymethyl-4-methylbut-2-en-1,4-olide
The XLogP value of -0.1 indicates that 4-Carboxymethyl-4-methylbut-2-en-1,4-olide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carboxymethyl-4-methylbut-2-en-1,4-olide. Following Lipinski's Rule of Five, 4-Carboxymethyl-4-methylbut-2-en-1,4-olide 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-Carboxymethyl-4-methylbut-2-en-1,4-olide?
The CAS number of 4-Carboxymethyl-4-methylbut-2-en-1,4-olide is 70441-90-6.
What is the molecular formula of 4-Carboxymethyl-4-methylbut-2-en-1,4-olide?
The molecular formula of 4-Carboxymethyl-4-methylbut-2-en-1,4-olide is C7H8O4.
What is the molecular weight of 4-Carboxymethyl-4-methylbut-2-en-1,4-olide?
The molecular weight of 4-Carboxymethyl-4-methylbut-2-en-1,4-olide is 156.04 g/mol.
Where can I buy 4-Carboxymethyl-4-methylbut-2-en-1,4-olide?
You can request a quote for 4-Carboxymethyl-4-methylbut-2-en-1,4-olide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carboxymethyl-4-methylbut-2-en-1,4-olide?
Yes, KEHONG BIO provides custom synthesis services for 4-Carboxymethyl-4-methylbut-2-en-1,4-olide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.