3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura
TL;DR: 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura (CAS 89080-22-8) is a chemical compound with molecular formula C25H23N3O2 and molecular weight 397.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-(2-cyanoethyl)-4-[[5-(2,4-dimethylphenyl)-2-oxofuran-3-ylidene]methyl]anilino]propanenitrile
Also Known As: 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura, 3-[2-Cyanoethyl-[4-[[5-(2,4-dimethylphenyl)-2-oxo-3-furylidene]methyl]phenyl]amino]propanenitrile, 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofuran-3-ylidene]methyl]anilino]propanenitrile, 3-[N-(2-cyanoethyl)-4-[[5-(2,4-dimethylphenyl)-2-oxofuran-3-ylidene]methyl]anilino]propanenitrile
| Molecular Formula | C25H23N3O2 |
|---|---|
| Molecular Weight | 397.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.17902 |
| Heavy Atoms | 30 |
| Complexity | 753.0 |
Chemical Identifiers
| CAS Number | 89080-22-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=CC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)O2)C |
| InChIKey | BNZZCHLHIJZRFV-UHFFFAOYSA-N |
Product Overview
3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura (CAS 89080-22-8), with molecular formula C25H23N3O2 and molecular weight 397.18 g/mol. IUPAC: 3-[N-(2-cyanoethyl)-4-[[5-(2,4-dimethylphenyl)-2-oxofuran-3-ylidene]methyl]anilino]propanenitrile.
Chemical Property Profile of 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura
Property Insights of 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura
The XLogP value of 4.2 indicates that 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura. Following Lipinski's Rule of Five, 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura 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 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura?
The CAS number of 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura is 89080-22-8.
What is the molecular formula of 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura?
The molecular formula of 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura is C25H23N3O2.
What is the molecular weight of 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura?
The molecular weight of 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura is 397.18 g/mol.
Where can I buy 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura?
You can request a quote for 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura?
Yes, KEHONG BIO provides custom synthesis services for 3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofura and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.