![Methyl 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate structure](/static/products/860/860644-65-1.png)
Methyl 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate
TL;DR: Methyl 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate (CAS 860644-65-1) is a chemical compound with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-benzylpiperidin-1-yl)methyl]-3-nitrobenzoate
Also Known As: methyl 2-[(4-benzylpiperidin-1-yl)methyl]-3-nitrobenzoate, methyl 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate, 10W-0900, Methyl 2-((4-benzylpiperidin-1-yl)methyl)-3-nitrobenzoate, Methyl 2-[(4-benzyl-1-piperidyl)methyl]-3-nitro-benzoate
| Molecular Formula | C21H24N2O4 |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 3.8361 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.1736 |
| Heavy Atoms | 27 |
| Complexity | 799.08386 |
Chemical Identifiers
| CAS Number | 860644-65-1 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CN2CCC(CC2)CC3=CC=CC=C3 |
Product Overview
Methyl 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate (CAS 860644-65-1), with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol. IUPAC: methyl 2-[(4-benzylpiperidin-1-yl)methyl]-3-nitrobenzoate.
Chemical Property Profile of Methyl 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate
Property Insights of Methyl 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate
The XLogP value of 3.8361 indicates that Methyl 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, Methyl 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate has 0 hydrogen bond donor(s) and 5 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-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate?
The CAS number of Methyl 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate is 860644-65-1.
What is the molecular formula of Methyl 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate?
The molecular formula of Methyl 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate is C21H24N2O4.
What is the molecular weight of Methyl 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate?
The molecular weight of Methyl 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate is 368.17 g/mol.
Where can I buy Methyl 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate?
You can request a quote for Methyl 2-[(4-benzylpiperidino)methyl]-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 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(4-benzylpiperidino)methyl]-3-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.