3-Methylglutaconic acid
TL;DR: 3-Methylglutaconic acid (CAS 59223-73-3) is a chemical compound with molecular formula C6H8O4 and molecular weight 144.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-methylpent-2-enedioic acid
Also Known As: 3-Methylglutaconic acid, (E)-3-methylpent-2-enedioic acid, 3-methylpent-2-enedioic acid, Vanillactic acid, 3-Methyl-2-pentenedioic acid
| Molecular Formula | C6H8O4 |
|---|---|
| Molecular Weight | 144.04 g/mol |
| LogP | 0.492 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.04225 |
| Heavy Atoms | 10 |
| Complexity | 180.18684 |
Chemical Identifiers
| CAS Number | 59223-73-3 |
|---|---|
| SMILES | C/C(=C\C(=O)O)/CC(=O)O |
Product Overview
3-Methylglutaconic acid (CAS 59223-73-3), with molecular formula C6H8O4 and molecular weight 144.04 g/mol. IUPAC: (E)-3-methylpent-2-enedioic acid.
Chemical Property Profile of 3-Methylglutaconic acid
Property Insights of 3-Methylglutaconic acid
The XLogP value of 0.492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylglutaconic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylglutaconic acid. Following Lipinski's Rule of Five, 3-Methylglutaconic acid has 2 hydrogen bond donor(s) and 2 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 3-Methylglutaconic acid?
The CAS number of 3-Methylglutaconic acid is 59223-73-3.
What is the molecular formula of 3-Methylglutaconic acid?
The molecular formula of 3-Methylglutaconic acid is C6H8O4.
What is the molecular weight of 3-Methylglutaconic acid?
The molecular weight of 3-Methylglutaconic acid is 144.04 g/mol.
Where can I buy 3-Methylglutaconic acid?
You can request a quote for 3-Methylglutaconic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylglutaconic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylglutaconic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.