![Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate structure](/static/products/5824/5824-22-6.webp)
Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
TL;DR: Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate (CAS 5824-22-6) is a chemical compound with molecular formula C23H18N2O4 and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
Also Known As: Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate, METHYL 2-[5-[2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]VINYL]-2-FURYL]BENZOATE, methyl 2-[5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate
| Molecular Formula | C23H18N2O4 |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 4.5873 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.12665 |
| Heavy Atoms | 29 |
| Complexity | 1135.5297 |
Chemical Identifiers
| CAS Number | 5824-22-6 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3C(=O)OC)C#N |
Product Overview
Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate (CAS 5824-22-6), with molecular formula C23H18N2O4 and molecular weight 386.13 g/mol. IUPAC: methyl 2-[5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate.
Chemical Property Profile of Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Property Insights of Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
The XLogP value of 4.5873 indicates that Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate. Following Lipinski's Rule of Five, Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate has 1 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 Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate?
The CAS number of Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate is 5824-22-6.
What is the molecular formula of Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate?
The molecular formula of Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate is C23H18N2O4.
What is the molecular weight of Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate?
The molecular weight of Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate is 386.13 g/mol.
Where can I buy Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate?
You can request a quote for Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.