Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate
TL;DR: Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate (CAS 119580-75-5) is a chemical compound with molecular formula C11H19N2O5- and molecular weight 259.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate
Also Known As: Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxido-pyrrolidine-3-carboxylate, methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate, trans-3-Methoxycarbonyl-2,2,5,5-tetramethyl-4-nitromethyl-pyrrolidin-1-oxyl
| Molecular Formula | C11H19N2O5- |
|---|---|
| Molecular Weight | 259.13 g/mol |
| LogP | 1.0391 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.1294 |
| Heavy Atoms | 18 |
| Complexity | 366.44507 |
Chemical Identifiers
| CAS Number | 119580-75-5 |
|---|---|
| SMILES | CC1(C(C(C(N1[O-])(C)C)C(=O)OC)C[N+](=O)[O-])C |
Product Overview
Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate (CAS 119580-75-5), with molecular formula C11H19N2O5- and molecular weight 259.13 g/mol. IUPAC: methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate.
Chemical Property Profile of Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate
Property Insights of Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate
The XLogP value of 1.0391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate has 0 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 Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate?
The CAS number of Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate is 119580-75-5.
What is the molecular formula of Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate?
The molecular formula of Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate is C11H19N2O5-.
What is the molecular weight of Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate?
The molecular weight of Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate is 259.13 g/mol.
Where can I buy Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate?
You can request a quote for Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2,5,5-tetramethyl-4-(nitromethyl)-1-oxidopyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.