![methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate structure](/static/products/860/860610-85-1.png)
methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate
TL;DR: methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate (CAS 860610-85-1) is a chemical compound with molecular formula C21H25N3O5 and molecular weight 399.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-3-nitrobenzoate
Also Known As: methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate, methyl 4-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-3-nitrobenzoate, methyl 4-[({2-[4-(hydroxymethyl)piperidin-1-yl]phenyl}methyl)amino]-3-nitrobenzoate, methyl4-[({2-[4-(hydroxymethyl)piperidin-1-yl]phenyl}methyl)amino]-3-nitrobenzoate
| Molecular Formula | C21H25N3O5 |
|---|---|
| Molecular Weight | 399.18 g/mol |
| LogP | 3.2022 |
| Topological Polar Surface Area | 104.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.1794 |
| Heavy Atoms | 29 |
| Complexity | 878.3703 |
Chemical Identifiers
| CAS Number | 860610-85-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2N3CCC(CC3)CO)[N+](=O)[O-] |
Product Overview
methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate (CAS 860610-85-1), with molecular formula C21H25N3O5 and molecular weight 399.18 g/mol. IUPAC: methyl 4-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-3-nitrobenzoate.
Chemical Property Profile of methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate
Property Insights of methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate
The XLogP value of 3.2022 indicates that methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate has 2 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 methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate?
The CAS number of methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate is 860610-85-1.
What is the molecular formula of methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate?
The molecular formula of methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate is C21H25N3O5.
What is the molecular weight of methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate?
The molecular weight of methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate is 399.18 g/mol.
Where can I buy methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate?
You can request a quote for methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({2-[4-(hydroxymethyl)piperidino]benzyl}amino)-3-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.