acetate structure](/static/products/797/797763-94-1.png)
Butyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate
TL;DR: Butyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate (CAS 797763-94-1) is a chemical compound with molecular formula C27H30N4O2 and molecular weight 442.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyanoacetate
Also Known As: butyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate, butyl 2-(3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl)-2-cyanoacetate, Butyl 2-[3-(4-benzyl-1-piperidyl)quinoxalin-2-yl]-2-cyano-acetate, butyl 2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyanoacetate
| Molecular Formula | C27H30N4O2 |
|---|---|
| Molecular Weight | 442.24 g/mol |
| LogP | 5.03938 |
| Topological Polar Surface Area | 79.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.23688 |
| Heavy Atoms | 33 |
| Complexity | 1117.9196 |
Chemical Identifiers
| CAS Number | 797763-94-1 |
|---|---|
| SMILES | CCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)CC4=CC=CC=C4 |
Product Overview
Butyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate (CAS 797763-94-1), with molecular formula C27H30N4O2 and molecular weight 442.24 g/mol. IUPAC: butyl 2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyanoacetate.
Chemical Property Profile of Butyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate
Property Insights of Butyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate
The XLogP value of 5.03938 indicates that Butyl [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 Butyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate. Following Lipinski's Rule of Five, Butyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate?
The CAS number of Butyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate is 797763-94-1.
What is the molecular formula of Butyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate?
The molecular formula of Butyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate is C27H30N4O2.
What is the molecular weight of Butyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate?
The molecular weight of Butyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate is 442.24 g/mol.
Where can I buy Butyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate?
You can request a quote for Butyl [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 Butyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl [3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.