N-(2-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate
TL;DR: N-(2-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate (CAS 63887-08-1) is a chemical compound with molecular formula C21H32N2O7 and molecular weight 424.22095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-butoxy-3-methoxybenzoyl)amino]ethyl-pentan-2-ylideneazanium;2-hydroxy-2-oxoacetate
Also Known As: N-(2-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate, BENZAMIDE, 2-BUTOXY-3-METHOXY-N-(2-PENTYLIDENEAMINOETHYL)-, OXALATE, 2-[(2-Butoxy-3-methoxybenzoyl)amino]ethyl-pentan-2-ylideneazanium;2-hydroxy-2-oxoacetate, 2-[(2-butoxy-3-methoxybenzoyl)amino]ethyl-pentan-2-ylideneazanium; 2-hydroxy-2-oxoacetate, Benzamide, 2-butoxy-3-methoxy-N-[2-(pentylideneamino)ethyl]-, ethanedioate (1:1)
Technical Specifications
| Molecular Formula | C21H32N2O7 |
| Molecular Weight | 424.22095 g/mol |
| XLogP | -0.23 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 424.22095 Da |
| Heavy Atoms | 30 |
| Complexity | 463.0 |
| SMILES | CCCCOC1=C(C=CC=C1OC)C(=O)NCC[NH+]=C(C)CCC.C(=O)(C(=O)[O-])O |
| InChIKey | CKHYRHIDMKNIGY-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate
Property Insights of N-(2-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate
The XLogP value of -0.23 indicates that N-(2-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate. Following Lipinski's Rule of Five, N-(2-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate has 3 hydrogen bond donor(s) and 7 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-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate?
The CAS number of N-(2-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate is 63887-08-1.
What is the molecular formula of N-(2-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate?
The molecular formula of N-(2-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate is C21H32N2O7.
What is the molecular weight of N-(2-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate?
The molecular weight of N-(2-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate is 424.22095 g/mol.
Where can I buy N-(2-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate?
You can request a quote for N-(2-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate?
Yes, CoreyChem provides custom synthesis services for N-(2-Pentylideneaminoethyl)-2-butoxy-3-methoxybenzamide oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.