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Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate
TL;DR: Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate (CAS 496784-50-0) is a chemical compound with molecular formula C17H18N4O2 and molecular weight 310.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetate
Also Known As: methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate, methyl 2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetate, AN-829/14893003, methyl 2-cyano-2-(3-(piperidin-1-yl)quinoxalin-2-yl)acetate
| Molecular Formula | C17H18N4O2 |
|---|---|
| Molecular Weight | 310.14 g/mol |
| LogP | 2.40028 |
| Topological Polar Surface Area | 79.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.14297 |
| Heavy Atoms | 23 |
| Complexity | 762.7677 |
Chemical Identifiers
| CAS Number | 496784-50-0 |
|---|---|
| SMILES | COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCC3 |
Product Overview
Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate (CAS 496784-50-0), with molecular formula C17H18N4O2 and molecular weight 310.14 g/mol. IUPAC: methyl 2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetate.
Chemical Property Profile of Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate
Property Insights of Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate
The XLogP value of 2.40028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate. The TPSA of 79.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate. Following Lipinski's Rule of Five, Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate has 0 hydrogen bond donor(s) and 6 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 Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate?
The CAS number of Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate is 496784-50-0.
What is the molecular formula of Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate?
The molecular formula of Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate is C17H18N4O2.
What is the molecular weight of Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate?
The molecular weight of Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate is 310.14 g/mol.
Where can I buy Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate?
You can request a quote for Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl cyano[3-(1-piperidinyl)-2-quinoxalinyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.