Dimethyl 2-ethyl-2-methylbutanedioate
TL;DR: Dimethyl 2-ethyl-2-methylbutanedioate (CAS 4364-80-1) 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.
dimethyl 2-ethyl-2-methylbutanedioate
Also Known As: dimethyl 2-ethyl-2-methylbutanedioate, (+-)-2-Aethyl-2-methyl-bernsteinsaeure-dimethylester, Butanedioicacid, 2-ethyl-2-methyl-, 1,4-dimethyl ester
| 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 | 6 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 4364-80-1 |
|---|---|
| SMILES | CCC(C)(CC(=O)OC)C(=O)OC |
| InChIKey | XECWAVZMSQNOQD-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-ethyl-2-methylbutanedioate (CAS 4364-80-1), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: dimethyl 2-ethyl-2-methylbutanedioate.
Chemical Property Profile of Dimethyl 2-ethyl-2-methylbutanedioate
Property Insights of Dimethyl 2-ethyl-2-methylbutanedioate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-ethyl-2-methylbutanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-ethyl-2-methylbutanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-ethyl-2-methylbutanedioate 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 Dimethyl 2-ethyl-2-methylbutanedioate?
The CAS number of Dimethyl 2-ethyl-2-methylbutanedioate is 4364-80-1.
What is the molecular formula of Dimethyl 2-ethyl-2-methylbutanedioate?
The molecular formula of Dimethyl 2-ethyl-2-methylbutanedioate is C9H16O4.
What is the molecular weight of Dimethyl 2-ethyl-2-methylbutanedioate?
The molecular weight of Dimethyl 2-ethyl-2-methylbutanedioate is 188.10 g/mol.
Where can I buy Dimethyl 2-ethyl-2-methylbutanedioate?
You can request a quote for Dimethyl 2-ethyl-2-methylbutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-ethyl-2-methylbutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-ethyl-2-methylbutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.