acetate structure](/static/products/497/497866-40-7.png)
1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate
TL;DR: 1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate (CAS 497866-40-7) is a chemical compound with molecular formula C26H29N5O3 and molecular weight 459.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxypropan-2-yl 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate
Also Known As: 1-methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate, 1-methoxypropan-2-yl 2-(3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate, 1-methoxypropan-2-yl 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate
| Molecular Formula | C26H29N5O3 |
|---|---|
| Molecular Weight | 459.23 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.22705 |
| Heavy Atoms | 34 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 497866-40-7 |
|---|---|
| SMILES | CC(COC)OC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=CC=C4 |
| InChIKey | ISBKJDDIANGRKM-UHFFFAOYSA-N |
Product Overview
1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate (CAS 497866-40-7), with molecular formula C26H29N5O3 and molecular weight 459.23 g/mol. IUPAC: 1-methoxypropan-2-yl 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate.
Chemical Property Profile of 1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate
Property Insights of 1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate
The XLogP value of 3.1 indicates that 1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate. Following Lipinski's Rule of Five, 1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate has 0 hydrogen bond donor(s) and 8 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 1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate?
The CAS number of 1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate is 497866-40-7.
What is the molecular formula of 1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate?
The molecular formula of 1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate is C26H29N5O3.
What is the molecular weight of 1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate?
The molecular weight of 1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate is 459.23 g/mol.
Where can I buy 1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate?
You can request a quote for 1-Methoxypropan-2-yl [3-(4-benzylpiperazin-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 1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxypropan-2-yl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.