acetate structure](/static/products/840/840477-40-9.png)
2-Methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate
TL;DR: 2-Methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate (CAS 840477-40-9) is a chemical compound with molecular formula C21H25N5O3 and molecular weight 395.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-[3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl]-2-cyanoacetate
Also Known As: isobutyl 2-(3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl)-2-cyanoacetate, 2-methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate, 2-methylpropyl 2-[3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl]-2-cyanoacetate
| Molecular Formula | C21H25N5O3 |
|---|---|
| Molecular Weight | 395.20 g/mol |
| LogP | 2.13788 |
| Topological Polar Surface Area | 122.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.19574 |
| Heavy Atoms | 29 |
| Complexity | 944.97235 |
Chemical Identifiers
| CAS Number | 840477-40-9 |
|---|---|
| SMILES | CC(C)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C(=O)N |
Product Overview
2-Methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate (CAS 840477-40-9), with molecular formula C21H25N5O3 and molecular weight 395.20 g/mol. IUPAC: 2-methylpropyl 2-[3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl]-2-cyanoacetate.
Chemical Property Profile of 2-Methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate
Property Insights of 2-Methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate
The XLogP value of 2.13788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate. The TPSA of 122.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate. Following Lipinski's Rule of Five, 2-Methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate has 1 hydrogen bond donor(s) and 7 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 2-Methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate?
The CAS number of 2-Methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate is 840477-40-9.
What is the molecular formula of 2-Methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate?
The molecular formula of 2-Methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate is C21H25N5O3.
What is the molecular weight of 2-Methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate?
The molecular weight of 2-Methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate is 395.20 g/mol.
Where can I buy 2-Methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate?
You can request a quote for 2-Methylpropyl [3-(4-carbamoylpiperidin-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 2-Methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl [3-(4-carbamoylpiperidin-1-yl)quinoxalin-2-yl](cyano)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.