3-Methylglutaconic anhydride
TL;DR: 3-Methylglutaconic anhydride (CAS 67116-19-2) is a chemical compound with molecular formula C6H6O3 and molecular weight 126.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3H-pyran-2,6-dione
Also Known As: 4-methyl-2H-Pyran-2,6(3H)-dione, 2H-Pyran-2,6(3H)-dione, 4-methyl-, 4-methyl-3H-pyran-2,6-dione, 3-Methylglutaconic anhydride, 6-Hydroxy-4-methyl-2-pyrone
| Molecular Formula | C6H6O3 |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.03169 |
| Heavy Atoms | 9 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 67116-19-2 |
|---|---|
| SMILES | CC1=CC(=O)OC(=O)C1 |
| InChIKey | RUMVLFICHAFVGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylglutaconic anhydride (CAS 67116-19-2), with molecular formula C6H6O3 and molecular weight 126.03 g/mol. IUPAC: 4-methyl-3H-pyran-2,6-dione.
Chemical Property Profile of 3-Methylglutaconic anhydride
Property Insights of 3-Methylglutaconic anhydride
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylglutaconic anhydride. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Methylglutaconic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylglutaconic anhydride has 0 hydrogen bond donor(s) and 3 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 anhydride?
The CAS number of 3-Methylglutaconic anhydride is 67116-19-2.
What is the molecular formula of 3-Methylglutaconic anhydride?
The molecular formula of 3-Methylglutaconic anhydride is C6H6O3.
What is the molecular weight of 3-Methylglutaconic anhydride?
The molecular weight of 3-Methylglutaconic anhydride is 126.03 g/mol.
Where can I buy 3-Methylglutaconic anhydride?
You can request a quote for 3-Methylglutaconic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylglutaconic anhydride?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylglutaconic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.