Diethyl methylsuccinate
TL;DR: Diethyl methylsuccinate (CAS 4676-51-1) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methylbutanedioate
Also Known As: Diethyl methylsuccinate, diethyl 2-methylbutanedioate, Diethyl pyrotartrate, Diethyl 2-methylsuccinate, diethylmethylsuccinate
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 4676-51-1 |
|---|---|
| SMILES | CCOC(=O)CC(C)C(=O)OCC |
| InChIKey | XHLXMRJWRKQMCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl methylsuccinate (CAS 4676-51-1), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: diethyl 2-methylbutanedioate.
Chemical Property Profile of Diethyl methylsuccinate
Property Insights of Diethyl methylsuccinate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl methylsuccinate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl methylsuccinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl methylsuccinate has 0 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 Diethyl methylsuccinate?
The CAS number of Diethyl methylsuccinate is 4676-51-1.
What is the molecular formula of Diethyl methylsuccinate?
The molecular formula of Diethyl methylsuccinate is C9H16O4.
What is the molecular weight of Diethyl methylsuccinate?
The molecular weight of Diethyl methylsuccinate is 188.10 g/mol.
Where can I buy Diethyl methylsuccinate?
You can request a quote for Diethyl methylsuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl methylsuccinate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl methylsuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.