Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester
TL;DR: Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester (CAS 16323-91-4) is a chemical compound with molecular formula C18H24NO3P and molecular weight 333.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[diethoxyphosphoryl(phenyl)methyl]-4-methylaniline
Also Known As: J2.658.867G, Diethyl [(4-methylanilino)(phenyl)methyl]phosphonate, N-[diethoxyphosphoryl(phenyl)methyl]-4-methylaniline, alpha-(p-Tolylamino)benzylphosphonic acid diethyl ester, alpha-(4-Methylanilino)benzylphosphonic acid diethyl ester
| Molecular Formula | C18H24NO3P |
|---|---|
| Molecular Weight | 333.15 g/mol |
| LogP | 5.37182 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 333.14938 |
| Heavy Atoms | 23 |
| Complexity | 633.0761 |
Chemical Identifiers
| CAS Number | 16323-91-4 |
|---|---|
| SMILES | CCOP(=O)(C(C1=CC=CC=C1)NC2=CC=C(C=C2)C)OCC |
Product Overview
Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester (CAS 16323-91-4), with molecular formula C18H24NO3P and molecular weight 333.15 g/mol. IUPAC: N-[diethoxyphosphoryl(phenyl)methyl]-4-methylaniline.
Chemical Property Profile of Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester
Property Insights of Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester
The XLogP value of 5.37182 indicates that Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester?
The CAS number of Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester is 16323-91-4.
What is the molecular formula of Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester?
The molecular formula of Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester is C18H24NO3P.
What is the molecular weight of Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester?
The molecular weight of Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester is 333.15 g/mol.
Where can I buy Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester?
You can request a quote for Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, [[(4-methylphenyl)amino]phenylmethyl]-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.