Benzoic acid, 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester
TL;DR: Benzoic acid, 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester (CAS 160092-81-9) is a chemical compound with molecular formula C17H21N2O5P and molecular weight 364.1188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[[dimethoxyphosphoryl(pyridin-3-yl)methyl]amino]benzoate
Also Known As: Ethyl 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)benzoate, Benzoic acid, 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester, ethyl 4-[[dimethoxyphosphoryl(pyridin-3-yl)methyl]amino]benzoate, ETHYL 4-{[(DIMETHOXYPHOSPHORYL)(PYRIDIN-3-YL)METHYL]AMINO}BENZOATE, Benzoic acid,4-[[(dimethoxyphosphinyl)-3-pyridinylmethyl]amino]-, ethyl ester
Technical Specifications
| Molecular Formula | C17H21N2O5P |
| Molecular Weight | 364.1188 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 86.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 364.1188 Da |
| Heavy Atoms | 25 |
| Complexity | 460.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(C2=CN=CC=C2)P(=O)(OC)OC |
| InChIKey | SHBGHDUYLDBASB-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester
Property Insights of Benzoic acid, 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester has 1 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 Benzoic acid, 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester?
The CAS number of Benzoic acid, 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester is 160092-81-9.
What is the molecular formula of Benzoic acid, 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester?
The molecular formula of Benzoic acid, 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester is C17H21N2O5P.
What is the molecular weight of Benzoic acid, 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester?
The molecular weight of Benzoic acid, 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester is 364.1188 g/mol.
Where can I buy Benzoic acid, 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester?
You can request a quote for Benzoic acid, 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)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-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-(((dimethoxyphosphinyl)-3-pyridinylmethyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.