Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester
TL;DR: Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester (CAS 114416-19-2) is a chemical compound with molecular formula C14H22NO5P and molecular weight 315.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(diethoxyphosphorylmethylamino)benzoate
Also Known As: Diethyl (p-ethoxycarbonylphenylaminomethyl)phosphonate, Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester, 4-(((Diethoxyphosphinyl)methyl)amino)benzoic acid ethyl ester, ethyl 4-(diethoxyphosphorylmethylamino)benzoate, ETHYL 4-{[(DIETHOXYPHOSPHORYL)METHYL]AMINO}BENZOATE
| Molecular Formula | C14H22NO5P |
|---|---|
| Molecular Weight | 315.12 g/mol |
| LogP | 3.4988 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 315.12357 |
| Heavy Atoms | 21 |
| Complexity | 478.64267 |
Chemical Identifiers
| CAS Number | 114416-19-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCP(=O)(OCC)OCC |
Product Overview
Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester (CAS 114416-19-2), with molecular formula C14H22NO5P and molecular weight 315.12 g/mol. IUPAC: ethyl 4-(diethoxyphosphorylmethylamino)benzoate.
Chemical Property Profile of Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester
Property Insights of Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester
The XLogP value of 3.4988 indicates that Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(((diethoxyphosphinyl)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
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester?
The CAS number of Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester is 114416-19-2.
What is the molecular formula of Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester?
The molecular formula of Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester is C14H22NO5P.
What is the molecular weight of Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester?
The molecular weight of Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester is 315.12 g/mol.
Where can I buy Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester?
You can request a quote for Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(((diethoxyphosphinyl)methyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.