diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate
TL;DR: diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate (CAS 848611-90-5) is a chemical compound with molecular formula C19H19ClF6N2O8 and molecular weight 552.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate
Also Known As: diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate, 3,5-Piperidinedicarboxylic acid, 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)-, 3,5-diethyl ester, 3,5-Diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)-3,5-piperidinedicarboxylate, 3,5-diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate, diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylat
| Molecular Formula | C19H19ClF6N2O8 |
|---|---|
| Molecular Weight | 552.07 g/mol |
| LogP | 2.7954 |
| Topological Polar Surface Area | 148.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 552.0734 |
| Heavy Atoms | 36 |
| Complexity | 990.1681 |
Chemical Identifiers
| CAS Number | 848611-90-5 |
|---|---|
| SMILES | CCOC(=O)C1C(C(C(NC1(C(F)(F)F)O)(C(F)(F)F)O)C(=O)OCC)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate (CAS 848611-90-5), with molecular formula C19H19ClF6N2O8 and molecular weight 552.07 g/mol. IUPAC: diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate.
Chemical Property Profile of diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate
Property Insights of diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate
The XLogP value of 2.7954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate. The TPSA of 148.23 Ų indicates high polarity, suggesting diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate?
The CAS number of diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate is 848611-90-5.
What is the molecular formula of diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate?
The molecular formula of diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate is C19H19ClF6N2O8.
What is the molecular weight of diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate?
The molecular weight of diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate is 552.07 g/mol.
Where can I buy diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate?
You can request a quote for diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 4-(4-chloro-3-nitrophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.