Ethyl 3,3-diethoxypropionate
TL;DR: Ethyl 3,3-diethoxypropionate (CAS 10601-80-6) is a chemical compound with molecular formula C9H18O4 and molecular weight 190.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3-diethoxypropanoate
Also Known As: Ethyl 3,3-diethoxypropionate, Ethyl 3,3-diethoxypropanoate, 3,3-Diethoxypropionic Acid Ethyl Ester, ETHYL3,3-DIETHOXYPROPIONATE, 6-O-Caffeoylarbutin
| Molecular Formula | C9H18O4 |
|---|---|
| Molecular Weight | 190.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 190.12051 |
| Heavy Atoms | 13 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 10601-80-6 |
|---|---|
| SMILES | CCOC(CC(=O)OCC)OCC |
| InChIKey | SIALOQYKFQEKOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3,3-diethoxypropionate (CAS 10601-80-6), with molecular formula C9H18O4 and molecular weight 190.12 g/mol. IUPAC: ethyl 3,3-diethoxypropanoate.
Chemical Property Profile of Ethyl 3,3-diethoxypropionate
Property Insights of Ethyl 3,3-diethoxypropionate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,3-diethoxypropionate. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl 3,3-diethoxypropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,3-diethoxypropionate 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-diethoxypropionate?
The CAS number of Ethyl 3,3-diethoxypropionate is 10601-80-6.
What is the molecular formula of Ethyl 3,3-diethoxypropionate?
The molecular formula of Ethyl 3,3-diethoxypropionate is C9H18O4.
What is the molecular weight of Ethyl 3,3-diethoxypropionate?
The molecular weight of Ethyl 3,3-diethoxypropionate is 190.12 g/mol.
Where can I buy Ethyl 3,3-diethoxypropionate?
You can request a quote for Ethyl 3,3-diethoxypropionate 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-diethoxypropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3-diethoxypropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.