Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester
TL;DR: Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester (CAS 114416-21-6) is a chemical compound with molecular formula C18H30NO5P and molecular weight 371.18616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(dibutoxyphosphorylmethylamino)benzoate
Also Known As: Dibutyl (p-ethoxycarbonylphenylaminomethyl)phosphonate, Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester, 4-(((Dibutoxyphosphinyl)methyl)amino)benzoic acid ethyl ester, ethyl 4-(dibutoxyphosphorylmethylamino)benzoate, Ethyl 4-{[(dibutoxyphosphoryl)methyl]amino}benzoate
Technical Specifications
| Molecular Formula | C18H30NO5P |
| Molecular Weight | 371.18616 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 371.18616 Da |
| Heavy Atoms | 25 |
| Complexity | 396.0 |
| SMILES | CCCCOP(=O)(CNC1=CC=C(C=C1)C(=O)OCC)OCCCC |
| InChIKey | GHBQKCSZZSETSZ-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester
Property Insights of Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester
The XLogP value of 4.0 indicates that Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester?
The CAS number of Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester is 114416-21-6.
What is the molecular formula of Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester?
The molecular formula of Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester is C18H30NO5P.
What is the molecular weight of Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester?
The molecular weight of Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester is 371.18616 g/mol.
Where can I buy Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester?
You can request a quote for Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-(((dibutoxyphosphinyl)methyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.