Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester
TL;DR: Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester (CAS 97181-03-8) is a chemical compound with molecular formula C15H14O5 and molecular weight 274.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[5-(4-methoxyphenyl)-3-oxofuran-2-ylidene]acetate
Also Known As: Ethyl (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)acetate, Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester, 2-Ethoxycarbonylmethylene-5-(4-methoxyphenyl)furan-3(2H)-one, ethyl (2E)-2-[5-(4-methoxyphenyl)-3-oxofuran-2-ylidene]acetate, ethyl 2-[5-(4-methoxyphenyl)-3-oxo-2,3-dihydrofuran-2-ylidene]acetate
| Molecular Formula | C15H14O5 |
|---|---|
| Molecular Weight | 274.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.08414 |
| Heavy Atoms | 20 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 97181-03-8 |
|---|---|
| SMILES | CCOC(=O)/C=C/1\C(=O)C=C(O1)C2=CC=C(C=C2)OC |
| InChIKey | SZODTBREEKQDET-NTEUORMPSA-N |
Product Overview
Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester (CAS 97181-03-8), with molecular formula C15H14O5 and molecular weight 274.08 g/mol. IUPAC: ethyl (2E)-2-[5-(4-methoxyphenyl)-3-oxofuran-2-ylidene]acetate.
Chemical Property Profile of Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester
Property Insights of Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester 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 Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester?
The CAS number of Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester is 97181-03-8.
What is the molecular formula of Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester?
The molecular formula of Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester is C15H14O5.
What is the molecular weight of Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester?
The molecular weight of Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester is 274.08 g/mol.
Where can I buy Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester?
You can request a quote for Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (5-(4-methoxyphenyl)-3-oxo-2(3H)-furanylidene)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.