![[R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate structure](/static/products/492/492-79-5.png)
[R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate
TL;DR: [R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate (CAS 492-79-5) is a chemical compound with molecular formula C17H16Cl2N2O6 and molecular weight 414.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)cyclohexa-1,5-diene-1-carboxylate
Also Known As: EINECS 207-760-4, (R-(R*,R*))-2-(2,2-Dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate, [R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate, ethyl (3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)cyclohexa-1,5-diene-1-carboxylate, 207-760-4
| Molecular Formula | C17H16Cl2N2O6 |
|---|---|
| Molecular Weight | 414.04 g/mol |
| LogP | 2.4794 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.03854 |
| Heavy Atoms | 27 |
| Complexity | 819.21747 |
Chemical Identifiers
| CAS Number | 492-79-5 |
|---|---|
| SMILES | CCOC(=O)C1=C([C@@](CC=C1)(C2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)C(Cl)Cl |
Product Overview
[R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate (CAS 492-79-5), with molecular formula C17H16Cl2N2O6 and molecular weight 414.04 g/mol. IUPAC: ethyl (3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)cyclohexa-1,5-diene-1-carboxylate.
Chemical Property Profile of [R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate
Property Insights of [R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate
The XLogP value of 2.4794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate. The TPSA of 118.77 Ų falls within the moderate polarity range, balancing permeability and solubility for [R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate. Following Lipinski's Rule of Five, [R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate has 2 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 [R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate?
The CAS number of [R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate is 492-79-5.
What is the molecular formula of [R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate?
The molecular formula of [R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate is C17H16Cl2N2O6.
What is the molecular weight of [R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate?
The molecular weight of [R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate is 414.04 g/mol.
Where can I buy [R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate?
You can request a quote for [R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for [R-(R*,R*)]-2-(2,2-dichloroacetamido)-3-hydroxy-3-(p-nitrophenyl)ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.