![4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid structure](/static/products/593/593272-04-9.png)
4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid
TL;DR: 4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid (CAS 593272-04-9) is a chemical compound with molecular formula C19H17NO6 and molecular weight 355.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-enyl]furan-2-yl]-3-methylbenzoic acid
Also Known As: 4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid, 4-[5-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-enyl]furan-2-yl]-3-methylbenzoic acid, 4-[5-[2-cyano-2-(2-methoxyethoxycarbonyl)ethenyl]-2-furyl]-3-methyl-benzoic Acid, (E)-4-(5-(2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl)furan-2-yl)-3-methylbenzoic acid
| Molecular Formula | C19H17NO6 |
|---|---|
| Molecular Weight | 355.11 g/mol |
| LogP | 3.0498 |
| Topological Polar Surface Area | 109.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.1056 |
| Heavy Atoms | 26 |
| Complexity | 887.67456 |
Chemical Identifiers
| CAS Number | 593272-04-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C(\C#N)/C(=O)OCCOC |
Product Overview
4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid (CAS 593272-04-9), with molecular formula C19H17NO6 and molecular weight 355.11 g/mol. IUPAC: 4-[5-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-enyl]furan-2-yl]-3-methylbenzoic acid.
Chemical Property Profile of 4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid
Property Insights of 4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid
The XLogP value of 3.0498 indicates that 4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid. Following Lipinski's Rule of Five, 4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid has 1 hydrogen bond donor(s) and 6 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 4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid?
The CAS number of 4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid is 593272-04-9.
What is the molecular formula of 4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid?
The molecular formula of 4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid is C19H17NO6.
What is the molecular weight of 4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid?
The molecular weight of 4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid is 355.11 g/mol.
Where can I buy 4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid?
You can request a quote for 4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{5-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.