(E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate
TL;DR: (E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate (CAS 354772-31-9) is a chemical compound with molecular formula C16H18ClF3N2O5 and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[[(E)-1-chlorobutylideneamino]oxycarbonyl-methylamino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
Also Known As: (E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate, methyl 2-(4-{[({[(1E)-1-chlorobutylidene]amino}oxy)carbonyl](methyl)amino}phenyl)-3,3,3-trifluoro-2-hydroxypropanoate, methyl 2-[4-[[(E)-1-chlorobutylideneamino]oxycarbonyl-methylamino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
| Molecular Formula | C16H18ClF3N2O5 |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 3.5347 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.08563 |
| Heavy Atoms | 27 |
| Complexity | 709.00244 |
Chemical Identifiers
| CAS Number | 354772-31-9 |
|---|---|
| SMILES | CCC/C(=N\OC(=O)N(C)C1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O)/Cl |
Product Overview
(E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate (CAS 354772-31-9), with molecular formula C16H18ClF3N2O5 and molecular weight 410.09 g/mol. IUPAC: methyl 2-[4-[[(E)-1-chlorobutylideneamino]oxycarbonyl-methylamino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate.
Chemical Property Profile of (E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate
Property Insights of (E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate
The XLogP value of 3.5347 indicates that (E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate. Following Lipinski's Rule of Five, (E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate 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 (E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The CAS number of (E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate is 354772-31-9.
What is the molecular formula of (E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular formula of (E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate is C16H18ClF3N2O5.
What is the molecular weight of (E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular weight of (E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate is 410.09 g/mol.
Where can I buy (E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
You can request a quote for (E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(4-(((((1-chlorobutylidene)amino)oxy)carbonyl)(methyl)amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.