Methylsuccinic anhydride
TL;DR: Methylsuccinic anhydride (CAS 4100-80-5) is a chemical compound with molecular formula C5H6O3 and molecular weight 114.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyloxolane-2,5-dione
Also Known As: Methylsuccinic anhydride, 3-methyldihydrofuran-2,5-dione, Pyrotartaric anhydride, 3-methyloxolane-2,5-dione, 3-Methylsuccinic anhydride
| Molecular Formula | C5H6O3 |
|---|---|
| Molecular Weight | 114.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.03169 |
| Heavy Atoms | 8 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 4100-80-5 |
|---|---|
| SMILES | CC1CC(=O)OC1=O |
| InChIKey | DFATXMYLKPCSCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylsuccinic anhydride (CAS 4100-80-5), with molecular formula C5H6O3 and molecular weight 114.03 g/mol. IUPAC: 3-methyloxolane-2,5-dione.
Chemical Property Profile of Methylsuccinic anhydride
Property Insights of Methylsuccinic anhydride
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylsuccinic anhydride. With a topological polar surface area (TPSA) of 43.4 Ų, Methylsuccinic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylsuccinic 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 Methylsuccinic anhydride?
The CAS number of Methylsuccinic anhydride is 4100-80-5.
What is the molecular formula of Methylsuccinic anhydride?
The molecular formula of Methylsuccinic anhydride is C5H6O3.
What is the molecular weight of Methylsuccinic anhydride?
The molecular weight of Methylsuccinic anhydride is 114.03 g/mol.
Where can I buy Methylsuccinic anhydride?
You can request a quote for Methylsuccinic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylsuccinic anhydride?
Yes, KEHONG BIO provides custom synthesis services for Methylsuccinic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.