2-Ethoxy-4-formylphenyl butanoate
TL;DR: 2-Ethoxy-4-formylphenyl butanoate (CAS 632299-38-8) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethoxy-4-formylphenyl) butanoate
Also Known As: 2-ethoxy-4-formylphenyl butanoate, 2-Ethoxy-4-formylphenyl butyrate, (2-ethoxy-4-formylphenyl) butanoate, 4-formyl-2-ethoxyphenyl butanoate, Butanoic acid, 2-ethoxy-4-formylphenyl ester
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 632299-38-8 |
|---|---|
| SMILES | CCCC(=O)OC1=C(C=C(C=C1)C=O)OCC |
| InChIKey | DKLNBKQWFAIPCG-UHFFFAOYSA-N |
Product Overview
2-Ethoxy-4-formylphenyl butanoate (CAS 632299-38-8), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: (2-ethoxy-4-formylphenyl) butanoate.
Chemical Property Profile of 2-Ethoxy-4-formylphenyl butanoate
Property Insights of 2-Ethoxy-4-formylphenyl butanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxy-4-formylphenyl butanoate. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Ethoxy-4-formylphenyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethoxy-4-formylphenyl butanoate 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 butanoate?
The CAS number of 2-Ethoxy-4-formylphenyl butanoate is 632299-38-8.
What is the molecular formula of 2-Ethoxy-4-formylphenyl butanoate?
The molecular formula of 2-Ethoxy-4-formylphenyl butanoate is C13H16O4.
What is the molecular weight of 2-Ethoxy-4-formylphenyl butanoate?
The molecular weight of 2-Ethoxy-4-formylphenyl butanoate is 236.10 g/mol.
Where can I buy 2-Ethoxy-4-formylphenyl butanoate?
You can request a quote for 2-Ethoxy-4-formylphenyl butanoate 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 butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxy-4-formylphenyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.