(E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate
TL;DR: (E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate (CAS 371949-40-5) is a chemical compound with molecular formula C14H19N2O6P and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylbenzoate
Also Known As: BIM-0045249.P001, (E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate, [(E)-(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylbenzoate, diethyl {2-amino-N-[(2-methylbenzoyl)oxy]-2-oxoethanimidoyl}phosphonate, diethyl [(1E)-2-amino-N-{[(2-methylphenyl)carbonyl]oxy}-2-oxoethanimidoyl]phosphonate
| Molecular Formula | C14H19N2O6P |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 2.21672 |
| Topological Polar Surface Area | 117.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.09808 |
| Heavy Atoms | 23 |
| Complexity | 648.4225 |
Chemical Identifiers
| CAS Number | 371949-40-5 |
|---|---|
| SMILES | CCOP(=O)(/C(=N/OC(=O)C1=CC=CC=C1C)/C(=O)N)OCC |
Product Overview
(E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate (CAS 371949-40-5), with molecular formula C14H19N2O6P and molecular weight 342.10 g/mol. IUPAC: [(E)-(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylbenzoate.
Chemical Property Profile of (E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate
Property Insights of (E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate
The XLogP value of 2.21672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate. The TPSA of 117.28 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate. Following Lipinski's Rule of Five, (E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate 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
Frequently Asked Questions
What is the CAS number of (E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate?
The CAS number of (E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate is 371949-40-5.
What is the molecular formula of (E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate?
The molecular formula of (E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate is C14H19N2O6P.
What is the molecular weight of (E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate?
The molecular weight of (E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate is 342.10 g/mol.
Where can I buy (E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate?
You can request a quote for (E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for (E)-diethyl (2-amino-1-(((2-methylbenzoyl)oxy)imino)-2-oxoethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.