N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide
TL;DR: N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide (CAS 136450-11-8) is a chemical compound with molecular formula C27H22N2O4 and molecular weight 438.15796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-cyano-4-oxochromen-8-yl)-4-(4-phenylbutoxy)benzamide
Also Known As: Pranlukast Impurity 5, N-(2-Cyano-4-oxo-4H-chromen-8-yl)-4-(4-phenylbutoxy)benzamide, N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide, 6476AA, N-(2-cyano-4-oxochromen-8-yl)-4-(4-phenylbutoxy)benzamide
Technical Specifications
| Molecular Formula | C27H22N2O4 |
| Molecular Weight | 438.15796 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.15796 Da |
| Heavy Atoms | 33 |
| Complexity | 755.0 |
| SMILES | C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C#N |
| InChIKey | ANMRPVKNZDBSIX-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide
Property Insights of N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide
The XLogP value of 4.9 indicates that N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide. Following Lipinski's Rule of Five, N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide 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
What is the CAS number of N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide?
The CAS number of N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide is 136450-11-8.
What is the molecular formula of N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide?
The molecular formula of N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide is C27H22N2O4.
What is the molecular weight of N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide?
The molecular weight of N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide is 438.15796 g/mol.
Where can I buy N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide?
You can request a quote for N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide?
Yes, CoreyChem provides custom synthesis services for N-(2-Cyano-4-oxo-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.