Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate
TL;DR: Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate (CAS 1458-18-0) is a chemical compound with molecular formula C6H5Cl2N3O2 and molecular weight 220.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-5,6-dichloropyrazine-2-carboxylate
Also Known As: Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate, Methyl 3-amino-5,6-dichloro-2-pyrazinecarboxylate, Tox21_113824, 2-Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester, 3-Amino-5,6-dichloro-2-pyrazinecarboxylic Acid Methyl Ester
| Molecular Formula | C6H5Cl2N3O2 |
|---|---|
| Molecular Weight | 220.98 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.97588 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 1458-18-0 |
|---|---|
| SMILES | COC(=O)C1=C(N=C(C(=N1)Cl)Cl)N |
| InChIKey | USYMCUGEGUFUBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate (CAS 1458-18-0), with molecular formula C6H5Cl2N3O2 and molecular weight 220.98 g/mol. IUPAC: methyl 3-amino-5,6-dichloropyrazine-2-carboxylate.
Chemical Property Profile of Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate
Property Insights of Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate 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 Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate?
The CAS number of Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate is 1458-18-0.
What is the molecular formula of Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate?
The molecular formula of Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate is C6H5Cl2N3O2.
What is the molecular weight of Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate?
The molecular weight of Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate is 220.98 g/mol.
Where can I buy Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate?
You can request a quote for Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.