Methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate
TL;DR: Methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate (CAS 329932-17-4) is a chemical compound with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate
Also Known As: BAS 00856763, methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate, methyl 3-[(4-benzylpiperidin-1-yl)carbonyl]-5-nitrobenzoate, methyl 5-nitro-3-{[4-benzylpiperidyl]carbonyl}benzoate, METHYL 3-[(4-BENZYLPIPERIDINO)CARBONYL]-5-NITROBENZOATE
| Molecular Formula | C21H22N2O5 |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 3.4763 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.15286 |
| Heavy Atoms | 28 |
| Complexity | 873.6196 |
Chemical Identifiers
| CAS Number | 329932-17-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
Methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate (CAS 329932-17-4), with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol. IUPAC: methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate
Property Insights of Methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate
The XLogP value of 3.4763 indicates that Methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate 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 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate?
The CAS number of Methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate is 329932-17-4.
What is the molecular formula of Methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate?
The molecular formula of Methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate is C21H22N2O5.
What is the molecular weight of Methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate?
The molecular weight of Methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate is 382.15 g/mol.
Where can I buy Methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate?
You can request a quote for Methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.