N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide
TL;DR: N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide (CAS 384369-46-4) is a chemical compound with molecular formula C31H30N6O and molecular weight 502.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-N-prop-2-enylacetamide
Also Known As: N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide, 2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-N-prop-2-enyl-acetamide, 2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-N-prop-2-enylacetamide, 2-cyano-2-{3-[4-(diphenylmethyl)piperazin-1-yl]quinoxalin-2-yl}-N-(prop-2-en-1-yl)acetamide
| Molecular Formula | C31H30N6O |
|---|---|
| Molecular Weight | 502.25 g/mol |
| LogP | 4.45078 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.2481 |
| Heavy Atoms | 38 |
| Complexity | 1402.4763 |
Chemical Identifiers
| CAS Number | 384369-46-4 |
|---|---|
| SMILES | C=CCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide (CAS 384369-46-4), with molecular formula C31H30N6O and molecular weight 502.25 g/mol. IUPAC: 2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-N-prop-2-enylacetamide.
Chemical Property Profile of N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide
Property Insights of N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide
The XLogP value of 4.45078 indicates that N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide. Following Lipinski's Rule of Five, N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide has 1 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 N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide?
The CAS number of N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide is 384369-46-4.
What is the molecular formula of N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide?
The molecular formula of N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide is C31H30N6O.
What is the molecular weight of N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide?
The molecular weight of N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide is 502.25 g/mol.
Where can I buy N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide?
You can request a quote for N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-2-(3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.