N-Methyl-4-piperidyl 4-azidobenzilate
TL;DR: N-Methyl-4-piperidyl 4-azidobenzilate (CAS 81038-63-3) is a chemical compound with molecular formula C20H24INO4 and molecular weight 469.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,11-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,10-diol iodide
Also Known As: N-Methyl-4-piperidyl 4-azidobenzilate, 4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,10-dihydroxy-2,11-dimethoxy-6,6-dimethyl-, iodide
| Molecular Formula | C20H24INO4 |
|---|---|
| Molecular Weight | 469.07 g/mol |
| LogP | 0.0157 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 469.075 |
| Heavy Atoms | 26 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 81038-63-3 |
|---|---|
| SMILES | C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)O)OC)O)OC)C.[I-] |
| InChIKey | XWXAXKZJJDGUCC-UHFFFAOYSA-N |
Product Overview
N-Methyl-4-piperidyl 4-azidobenzilate (CAS 81038-63-3), with molecular formula C20H24INO4 and molecular weight 469.07 g/mol. IUPAC: 2,11-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,10-diol iodide.
Chemical Property Profile of N-Methyl-4-piperidyl 4-azidobenzilate
Property Insights of N-Methyl-4-piperidyl 4-azidobenzilate
The XLogP value of 0.0157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-4-piperidyl 4-azidobenzilate. With a topological polar surface area (TPSA) of 58.9 Ų, N-Methyl-4-piperidyl 4-azidobenzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-4-piperidyl 4-azidobenzilate has 2 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 N-Methyl-4-piperidyl 4-azidobenzilate?
The CAS number of N-Methyl-4-piperidyl 4-azidobenzilate is 81038-63-3.
What is the molecular formula of N-Methyl-4-piperidyl 4-azidobenzilate?
The molecular formula of N-Methyl-4-piperidyl 4-azidobenzilate is C20H24INO4.
What is the molecular weight of N-Methyl-4-piperidyl 4-azidobenzilate?
The molecular weight of N-Methyl-4-piperidyl 4-azidobenzilate is 469.07 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.