3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester
TL;DR: 3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester (CAS 20416-14-2) is a chemical compound with molecular formula C14H14O3 and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-benzylfuran-3-carboxylate
Also Known As: Ethyl 5-benzyl-3-furoate, ethyl 5-benzylfuran-3-carboxylate, ethyl5-benzyl-3-furoate, 3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester, 5-Benzyl-3-furancarboxylic acid ethyl ester
| Molecular Formula | C14H14O3 |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.0943 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 20416-14-2 |
|---|---|
| SMILES | CCOC(=O)C1=COC(=C1)CC2=CC=CC=C2 |
| InChIKey | XEMLEMIOCGLVMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester (CAS 20416-14-2), with molecular formula C14H14O3 and molecular weight 230.09 g/mol. IUPAC: ethyl 5-benzylfuran-3-carboxylate.
Chemical Property Profile of 3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester
Property Insights of 3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester
The XLogP value of 3.2 indicates that 3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, 3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester 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 3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester?
The CAS number of 3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester is 20416-14-2.
What is the molecular formula of 3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester?
The molecular formula of 3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester is C14H14O3.
What is the molecular weight of 3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester?
The molecular weight of 3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester is 230.09 g/mol.
Where can I buy 3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester?
You can request a quote for 3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Furancarboxylic acid, 5-(phenylmethyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.