Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate
TL;DR: Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate (CAS 43111-45-1) is a chemical compound with molecular formula C16H17N5O2 and molecular weight 311.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5-amino-6-cyanopyrazin-2-yl)methyl-methylamino]benzoate
Also Known As: Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate, ethyl 4-[(5-amino-6-cyanopyrazin-2-yl)methyl-methylamino]benzoate, ETHYL 4-[(5-AMINO-6-CYANO-PYRAZIN-2-YL)METHYL-METHYL-AMINO]BENZOATE, ethyl 4-[(5-amino-6-cyanopyrazin-2-yl)methyl-methylamino]ben, 2-Amino-3-cyano-5-[[p-ethoxycarbonyl-N-methylanilino]methylpyrazine
| Molecular Formula | C16H17N5O2 |
|---|---|
| Molecular Weight | 311.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.1382 |
| Heavy Atoms | 23 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 43111-45-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C(C(=N2)C#N)N |
| InChIKey | JSMYEARCFNTPMN-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate (CAS 43111-45-1), with molecular formula C16H17N5O2 and molecular weight 311.14 g/mol. IUPAC: ethyl 4-[(5-amino-6-cyanopyrazin-2-yl)methyl-methylamino]benzoate.
Chemical Property Profile of Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate
Property Insights of Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate 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 Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate?
The CAS number of Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate is 43111-45-1.
What is the molecular formula of Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate?
The molecular formula of Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate is C16H17N5O2.
What is the molecular weight of Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate?
The molecular weight of Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate is 311.14 g/mol.
Where can I buy Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate?
You can request a quote for Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(((5-amino-6-cyanopyrazin-2-yl)methyl)(methyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.