acetate structure](/static/products/488/488804-31-5.png)
Methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate
TL;DR: Methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate (CAS 488804-31-5) is a chemical compound with molecular formula C24H24N4O2 and molecular weight 400.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyanoacetate
Also Known As: methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate, methyl 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-cyanoacetate, methyl 2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyanoacetate
| Molecular Formula | C24H24N4O2 |
|---|---|
| Molecular Weight | 400.19 g/mol |
| LogP | 3.86908 |
| Topological Polar Surface Area | 79.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1899 |
| Heavy Atoms | 30 |
| Complexity | 1069.5061 |
Chemical Identifiers
| CAS Number | 488804-31-5 |
|---|---|
| SMILES | COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)CC4=CC=CC=C4 |
Product Overview
Methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate (CAS 488804-31-5), with molecular formula C24H24N4O2 and molecular weight 400.19 g/mol. IUPAC: methyl 2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyanoacetate.
Chemical Property Profile of Methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate
Property Insights of Methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate
The XLogP value of 3.86908 indicates that Methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate. Following Lipinski's Rule of Five, Methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate has 0 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 Methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate?
The CAS number of Methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate is 488804-31-5.
What is the molecular formula of Methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate?
The molecular formula of Methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate is C24H24N4O2.
What is the molecular weight of Methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate?
The molecular weight of Methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate is 400.19 g/mol.
Where can I buy Methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate?
You can request a quote for Methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate 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-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.