Ethyl orthopropionate
TL;DR: Ethyl orthopropionate (CAS 115-80-0) is a chemical compound with molecular formula C9H20O3 and molecular weight 176.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-triethoxypropane
Also Known As: Triethyl orthopropionate, 1,1,1-Triethoxypropane, Ethyl orthopropionate, Propane, 1,1,1-triethoxy-, Triethyl o-propionate
| Molecular Formula | C9H20O3 |
|---|---|
| Molecular Weight | 176.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 176.14125 |
| Heavy Atoms | 12 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 115-80-0 |
|---|---|
| SMILES | CCC(OCC)(OCC)OCC |
| InChIKey | FGWYWKIOMUZSQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl orthopropionate (CAS 115-80-0), with molecular formula C9H20O3 and molecular weight 176.14 g/mol. IUPAC: 1,1,1-triethoxypropane.
Chemical Property Profile of Ethyl orthopropionate
Property Insights of Ethyl orthopropionate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl orthopropionate. With a topological polar surface area (TPSA) of 27.7 Ų, Ethyl orthopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl orthopropionate has 0 hydrogen bond donor(s) and 3 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 orthopropionate?
The CAS number of Ethyl orthopropionate is 115-80-0.
What is the molecular formula of Ethyl orthopropionate?
The molecular formula of Ethyl orthopropionate is C9H20O3.
What is the molecular weight of Ethyl orthopropionate?
The molecular weight of Ethyl orthopropionate is 176.14 g/mol.
Where can I buy Ethyl orthopropionate?
You can request a quote for Ethyl orthopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl orthopropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl orthopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.