N-methyl-4-piperidyl 4-azidobenzilate
TL;DR: N-methyl-4-piperidyl 4-azidobenzilate (CAS 5653-88-3) is a chemical compound with molecular formula C20H22N4O3 and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 2-(4-azidophenyl)-2-hydroxy-2-phenylacetate
Also Known As: MPAB, N-Methyl-4-piperidyl p-azidobenzilate, N-Methyl-4-piperidyl 4-azidobenzilate, N-methyl-4-piperidyl4-azidobenzilate, (1-methylpiperidin-4-yl) 2-(4-azidophenyl)-2-hydroxy-2-phenylacetate
| Molecular Formula | C20H22N4O3 |
|---|---|
| Molecular Weight | 366.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.1692 |
| Heavy Atoms | 27 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 5653-88-3 |
|---|---|
| SMILES | CN1CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=C(C=C3)N=[N+]=[N-])O |
| InChIKey | DVRVJXRURLHXKP-UHFFFAOYSA-N |
Product Overview
N-methyl-4-piperidyl 4-azidobenzilate (CAS 5653-88-3), with molecular formula C20H22N4O3 and molecular weight 366.17 g/mol. IUPAC: (1-methylpiperidin-4-yl) 2-(4-azidophenyl)-2-hydroxy-2-phenylacetate.
Chemical Property Profile of N-methyl-4-piperidyl 4-azidobenzilate
Property Insights of N-methyl-4-piperidyl 4-azidobenzilate
The XLogP value of 4.2 indicates that N-methyl-4-piperidyl 4-azidobenzilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-4-piperidyl 4-azidobenzilate. Following Lipinski's Rule of Five, N-methyl-4-piperidyl 4-azidobenzilate has 1 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 N-methyl-4-piperidyl 4-azidobenzilate?
The CAS number of N-methyl-4-piperidyl 4-azidobenzilate is 5653-88-3.
What is the molecular formula of N-methyl-4-piperidyl 4-azidobenzilate?
The molecular formula of N-methyl-4-piperidyl 4-azidobenzilate is C20H22N4O3.
What is the molecular weight of N-methyl-4-piperidyl 4-azidobenzilate?
The molecular weight of N-methyl-4-piperidyl 4-azidobenzilate is 366.17 g/mol.
Where can I buy N-methyl-4-piperidyl 4-azidobenzilate?
You can request a quote for N-methyl-4-piperidyl 4-azidobenzilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-4-piperidyl 4-azidobenzilate?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-4-piperidyl 4-azidobenzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.