Diethyl 2-methylglutarate
TL;DR: Diethyl 2-methylglutarate (CAS 18545-83-0) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methylpentanedioate
Also Known As: Diethyl 2-methylglutarate, diethyl 2-methylpentanedioate, Ethyl 2-methylglutarate, 1,5-DIETHYL 2-METHYLPENTANEDIOATE, diethyl2-methylpentanedioate
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 18545-83-0 |
|---|---|
| SMILES | CCOC(=O)CCC(C)C(=O)OCC |
| InChIKey | SHSCLYKFOFTZGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-methylglutarate (CAS 18545-83-0), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: diethyl 2-methylpentanedioate.
Chemical Property Profile of Diethyl 2-methylglutarate
Property Insights of Diethyl 2-methylglutarate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-methylglutarate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-methylglutarate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-methylglutarate 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 2-methylglutarate?
The CAS number of Diethyl 2-methylglutarate is 18545-83-0.
What is the molecular formula of Diethyl 2-methylglutarate?
The molecular formula of Diethyl 2-methylglutarate is C10H18O4.
What is the molecular weight of Diethyl 2-methylglutarate?
The molecular weight of Diethyl 2-methylglutarate is 202.12 g/mol.
Where can I buy Diethyl 2-methylglutarate?
You can request a quote for Diethyl 2-methylglutarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-methylglutarate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-methylglutarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.