2-Ethoxy-4-formylphenyl propionate
TL;DR: 2-Ethoxy-4-formylphenyl propionate (CAS 159661-85-5) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethoxy-4-formylphenyl) propanoate
Also Known As: 2-ethoxy-4-formylphenyl propionate, 2-ethoxy-4-formylphenyl propanoate, (2-ethoxy-4-formylphenyl) propanoate, 2-ethoxy-4-formylphenylpropionate, Benzaldehyde, 3-ethoxy-4-(1-oxopropoxy)-
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 159661-85-5 |
|---|---|
| SMILES | CCC(=O)OC1=C(C=C(C=C1)C=O)OCC |
| InChIKey | MYFUIYHUKGKRTC-UHFFFAOYSA-N |
Product Overview
2-Ethoxy-4-formylphenyl propionate (CAS 159661-85-5), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: (2-ethoxy-4-formylphenyl) propanoate.
Chemical Property Profile of 2-Ethoxy-4-formylphenyl propionate
Property Insights of 2-Ethoxy-4-formylphenyl propionate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxy-4-formylphenyl propionate. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Ethoxy-4-formylphenyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethoxy-4-formylphenyl propionate 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 2-Ethoxy-4-formylphenyl propionate?
The CAS number of 2-Ethoxy-4-formylphenyl propionate is 159661-85-5.
What is the molecular formula of 2-Ethoxy-4-formylphenyl propionate?
The molecular formula of 2-Ethoxy-4-formylphenyl propionate is C12H14O4.
What is the molecular weight of 2-Ethoxy-4-formylphenyl propionate?
The molecular weight of 2-Ethoxy-4-formylphenyl propionate is 222.09 g/mol.
Where can I buy 2-Ethoxy-4-formylphenyl propionate?
You can request a quote for 2-Ethoxy-4-formylphenyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxy-4-formylphenyl propionate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxy-4-formylphenyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.