1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate
TL;DR: 1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate (CAS 799777-22-3) is a chemical compound with molecular formula C32H33N5O3 and molecular weight 535.26 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-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate
Also Known As: 1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate, 1-methoxypropan-2-yl 2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-acetate, 1-methoxypropan-2-yl 2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate, 1-methoxypropan-2-yl cyano{3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl}acetate
| Molecular Formula | C32H33N5O3 |
|---|---|
| Molecular Weight | 535.26 g/mol |
| LogP | 4.72668 |
| Topological Polar Surface Area | 91.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 535.25836 |
| Heavy Atoms | 40 |
| Complexity | 1427.1737 |
Chemical Identifiers
| CAS Number | 799777-22-3 |
|---|---|
| SMILES | CC(COC)OC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate (CAS 799777-22-3), with molecular formula C32H33N5O3 and molecular weight 535.26 g/mol. IUPAC: 1-methoxypropan-2-yl 2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate.
Chemical Property Profile of 1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate
Property Insights of 1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate
The XLogP value of 4.72668 indicates that 1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate. Following Lipinski's Rule of Five, 1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate?
The CAS number of 1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate is 799777-22-3.
What is the molecular formula of 1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate?
The molecular formula of 1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate is C32H33N5O3.
What is the molecular weight of 1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate?
The molecular weight of 1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate is 535.26 g/mol.
Where can I buy 1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate?
You can request a quote for 1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate 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 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-methoxypropan-2-yl 2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.