Benzoic acid, 4-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester
TL;DR: Benzoic acid, 4-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester (CAS 114416-20-5) is a chemical compound with molecular formula C16H26NO5P and molecular weight 343.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(dipropoxyphosphorylmethylamino)benzoate
Also Known As: Dipropyl (p-ethoxycarbonylphenylaminomethyl)phosphonate, Benzoic acid, 4-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester, ethyl 4-(dipropoxyphosphorylmethylamino)benzoate, 4-(((Dipropoxyphosphinyl)methyl)amino)benzoic acid ethyl ester, TERT-BUTYLMETHYLSILYL GLYCIDYL ETHER
| Molecular Formula | C16H26NO5P |
|---|---|
| Molecular Weight | 343.15 g/mol |
| LogP | 4.279 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 343.15485 |
| Heavy Atoms | 23 |
| Complexity | 505.70682 |
Chemical Identifiers
| CAS Number | 114416-20-5 |
|---|---|
| SMILES | CCCOP(=O)(CNC1=CC=C(C=C1)C(=O)OCC)OCCC |
Product Overview
Benzoic acid, 4-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester (CAS 114416-20-5), with molecular formula C16H26NO5P and molecular weight 343.15 g/mol. IUPAC: ethyl 4-(dipropoxyphosphorylmethylamino)benzoate.
Chemical Property Profile of Benzoic acid, 4-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester
Property Insights of Benzoic acid, 4-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester
The XLogP value of 4.279 indicates that Benzoic acid, 4-(((dipropoxyphosphinyl)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-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(((dipropoxyphosphinyl)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-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester?
The CAS number of Benzoic acid, 4-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester is 114416-20-5.
What is the molecular formula of Benzoic acid, 4-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester?
The molecular formula of Benzoic acid, 4-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester is C16H26NO5P.
What is the molecular weight of Benzoic acid, 4-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester?
The molecular weight of Benzoic acid, 4-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester is 343.15 g/mol.
Where can I buy Benzoic acid, 4-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester?
You can request a quote for Benzoic acid, 4-(((dipropoxyphosphinyl)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-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(((dipropoxyphosphinyl)methyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.