1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate
TL;DR: 1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate (CAS 42024-41-9) is a chemical compound with molecular formula C16H22O5 and molecular weight 294.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-oxo-1-(2-phenylmethoxyethoxy)propan-2-yl] butanoate
Also Known As: 1-(2-PHENYLMETHOXYETHOXYCARBONYL)ETHYL BUTANOATE, [1-oxo-1-(2-phenylmethoxyethoxy)propan-2-yl] butanoate, 1-[2-(BENZYLOXY)ETHOXY]-1-OXOPROPAN-2-YL BUTANOATE
| Molecular Formula | C16H22O5 |
|---|---|
| Molecular Weight | 294.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 294.14673 |
| Heavy Atoms | 21 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 42024-41-9 |
|---|---|
| SMILES | CCCC(=O)OC(C)C(=O)OCCOCC1=CC=CC=C1 |
| InChIKey | RNYKTSXCGIEHCM-UHFFFAOYSA-N |
Product Overview
1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate (CAS 42024-41-9), with molecular formula C16H22O5 and molecular weight 294.15 g/mol. IUPAC: [1-oxo-1-(2-phenylmethoxyethoxy)propan-2-yl] butanoate.
Chemical Property Profile of 1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate
Property Insights of 1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate. Following Lipinski's Rule of Five, 1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate has 0 hydrogen bond donor(s) and 5 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 1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate?
The CAS number of 1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate is 42024-41-9.
What is the molecular formula of 1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate?
The molecular formula of 1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate is C16H22O5.
What is the molecular weight of 1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate?
The molecular weight of 1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate is 294.15 g/mol.
Where can I buy 1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate?
You can request a quote for 1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Phenylmethoxyethoxycarbonyl)ethyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.