![3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid structure](/static/products/3063/306312-89-0.webp)
3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
TL;DR: 3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid (CAS 306312-89-0) is a chemical compound with molecular formula C22H16N2O4 and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
Also Known As: 3-[5-[2-(benzylcarbamoyl)-2-cyano-ethenyl]-2-furyl]benzoic Acid, 3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid, (E)-3-(5-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoic acid, 3-(5-(3-(Benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoic acid, 3-[5-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
| Molecular Formula | C22H16N2O4 |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 3.86818 |
| Topological Polar Surface Area | 103.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.111 |
| Heavy Atoms | 28 |
| Complexity | 1075.1711 |
Chemical Identifiers
| CAS Number | 306312-89-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)/C#N |
Product Overview
3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid (CAS 306312-89-0), with molecular formula C22H16N2O4 and molecular weight 372.11 g/mol. IUPAC: 3-[5-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
Property Insights of 3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
The XLogP value of 3.86818 indicates that 3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid. Following Lipinski's Rule of Five, 3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid has 2 hydrogen bond donor(s) and 4 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-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid?
The CAS number of 3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid is 306312-89-0.
What is the molecular formula of 3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid?
The molecular formula of 3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid is C22H16N2O4.
What is the molecular weight of 3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid?
The molecular weight of 3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid is 372.11 g/mol.
Where can I buy 3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid?
You can request a quote for 3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{5-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.