Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate
TL;DR: Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate (CAS 201993-49-9) is a chemical compound with molecular formula C20H21Cl2N2O4P and molecular weight 454.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(2,4-dichlorophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-amine
Also Known As: ChemDiv1_019694, AF-962/31930060, diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate, diethyl [5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]phosphonate, N-benzyl-2-(2,4-dichlorophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-amine
| Molecular Formula | C20H21Cl2N2O4P |
|---|---|
| Molecular Weight | 454.06 g/mol |
| LogP | 6.1519 |
| Topological Polar Surface Area | 73.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 454.06158 |
| Heavy Atoms | 29 |
| Complexity | 1000.9707 |
Chemical Identifiers
| CAS Number | 201993-49-9 |
|---|---|
| SMILES | CCOP(=O)(C1=C(OC(=N1)C2=C(C=C(C=C2)Cl)Cl)NCC3=CC=CC=C3)OCC |
Product Overview
Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate (CAS 201993-49-9), with molecular formula C20H21Cl2N2O4P and molecular weight 454.06 g/mol. IUPAC: N-benzyl-2-(2,4-dichlorophenyl)-4-diethoxyphosphoryl-1,3-oxazol-5-amine.
Chemical Property Profile of Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate
Property Insights of Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate
The XLogP value of 6.1519 indicates that Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate. Following Lipinski's Rule of Five, Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate?
The CAS number of Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate is 201993-49-9.
What is the molecular formula of Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate?
The molecular formula of Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate is C20H21Cl2N2O4P.
What is the molecular weight of Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate?
The molecular weight of Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate is 454.06 g/mol.
Where can I buy Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate?
You can request a quote for Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5-(benzylamino)-2-(2,4-dichlorophenyl)-1,3-oxazol-4-ylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.