Ethyl 3,3-diethoxy-2-methylpropanoate
TL;DR: Ethyl 3,3-diethoxy-2-methylpropanoate (CAS 36274-29-0) is a chemical compound with molecular formula C10H20O4 and molecular weight 204.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3-diethoxy-2-methylpropanoate
Also Known As: ethyl 3,3-diethoxy-2-methylpropanoate, NCIOpen2_004368, ethyl 3,3-diethoxy-2-methylpropionate, ethyl 3,3-diethoxy-2-methyl-propanoate, Propanoic acid, 3,3-diethoxy-2-methyl-, ethyl ester
| Molecular Formula | C10H20O4 |
|---|---|
| Molecular Weight | 204.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 204.13615 |
| Heavy Atoms | 14 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 36274-29-0 |
|---|---|
| SMILES | CCOC(C(C)C(=O)OCC)OCC |
| InChIKey | OWPLJDFJJDEKQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3,3-diethoxy-2-methylpropanoate (CAS 36274-29-0), with molecular formula C10H20O4 and molecular weight 204.14 g/mol. IUPAC: ethyl 3,3-diethoxy-2-methylpropanoate.
Chemical Property Profile of Ethyl 3,3-diethoxy-2-methylpropanoate
Property Insights of Ethyl 3,3-diethoxy-2-methylpropanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,3-diethoxy-2-methylpropanoate. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl 3,3-diethoxy-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,3-diethoxy-2-methylpropanoate 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 Ethyl 3,3-diethoxy-2-methylpropanoate?
The CAS number of Ethyl 3,3-diethoxy-2-methylpropanoate is 36274-29-0.
What is the molecular formula of Ethyl 3,3-diethoxy-2-methylpropanoate?
The molecular formula of Ethyl 3,3-diethoxy-2-methylpropanoate is C10H20O4.
What is the molecular weight of Ethyl 3,3-diethoxy-2-methylpropanoate?
The molecular weight of Ethyl 3,3-diethoxy-2-methylpropanoate is 204.14 g/mol.
Where can I buy Ethyl 3,3-diethoxy-2-methylpropanoate?
You can request a quote for Ethyl 3,3-diethoxy-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,3-diethoxy-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3-diethoxy-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.