Benzyl 3-aminopyrazinecarboxylate
TL;DR: Benzyl 3-aminopyrazinecarboxylate (CAS 59698-26-9) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-aminopyrazine-2-carboxylate
Also Known As: Benzyl 3-aminopyrazinecarboxylate, benzyl 3-aminopyrazine-2-carboxylate, 3-Amino-2-pyrazinecarboxylic acid phenylmethyl ester, 2-Pyrazinecarboxylic acid, 3-amino-, phenylmethyl ester, 2-Pyrazinecarboxylicacid, 3-amino-, phenylmethyl ester
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 59698-26-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=NC=CN=C2N |
| InChIKey | VXRGDNBJXWLGIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 3-aminopyrazinecarboxylate (CAS 59698-26-9), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: benzyl 3-aminopyrazine-2-carboxylate.
Chemical Property Profile of Benzyl 3-aminopyrazinecarboxylate
Property Insights of Benzyl 3-aminopyrazinecarboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-aminopyrazinecarboxylate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 3-aminopyrazinecarboxylate. Following Lipinski's Rule of Five, Benzyl 3-aminopyrazinecarboxylate has 1 hydrogen bond donor(s) and 5 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 Benzyl 3-aminopyrazinecarboxylate?
The CAS number of Benzyl 3-aminopyrazinecarboxylate is 59698-26-9.
What is the molecular formula of Benzyl 3-aminopyrazinecarboxylate?
The molecular formula of Benzyl 3-aminopyrazinecarboxylate is C12H11N3O2.
What is the molecular weight of Benzyl 3-aminopyrazinecarboxylate?
The molecular weight of Benzyl 3-aminopyrazinecarboxylate is 229.09 g/mol.
Where can I buy Benzyl 3-aminopyrazinecarboxylate?
You can request a quote for Benzyl 3-aminopyrazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-aminopyrazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-aminopyrazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.