Butyl 4-(pyrazine-2-carbonylamino)benzoate
TL;DR: Butyl 4-(pyrazine-2-carbonylamino)benzoate (CAS 541536-34-9) is a chemical compound with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(pyrazine-2-carbonylamino)benzoate
Also Known As: butyl 4-(pyrazine-2-carbonylamino)benzoate, butyl 4-[(2-pyrazinylcarbonyl)amino]benzoate, butyl 4-(pyrazin-2-ylcarbonylamino)benzoate, BUTYL 4-(PYRAZINE-2-AMIDO)BENZOATE, butyl 4-[(pyrazin-2-ylcarbonyl)amino]benzoate
| Molecular Formula | C16H17N3O3 |
|---|---|
| Molecular Weight | 299.13 g/mol |
| LogP | 2.6858 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.12698 |
| Heavy Atoms | 22 |
| Complexity | 626.8441 |
Chemical Identifiers
| CAS Number | 541536-34-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC=CN=C2 |
Product Overview
Butyl 4-(pyrazine-2-carbonylamino)benzoate (CAS 541536-34-9), with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol. IUPAC: butyl 4-(pyrazine-2-carbonylamino)benzoate.
Chemical Property Profile of Butyl 4-(pyrazine-2-carbonylamino)benzoate
Property Insights of Butyl 4-(pyrazine-2-carbonylamino)benzoate
The XLogP value of 2.6858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-(pyrazine-2-carbonylamino)benzoate. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-(pyrazine-2-carbonylamino)benzoate. Following Lipinski's Rule of Five, Butyl 4-(pyrazine-2-carbonylamino)benzoate 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 Butyl 4-(pyrazine-2-carbonylamino)benzoate?
The CAS number of Butyl 4-(pyrazine-2-carbonylamino)benzoate is 541536-34-9.
What is the molecular formula of Butyl 4-(pyrazine-2-carbonylamino)benzoate?
The molecular formula of Butyl 4-(pyrazine-2-carbonylamino)benzoate is C16H17N3O3.
What is the molecular weight of Butyl 4-(pyrazine-2-carbonylamino)benzoate?
The molecular weight of Butyl 4-(pyrazine-2-carbonylamino)benzoate is 299.13 g/mol.
Where can I buy Butyl 4-(pyrazine-2-carbonylamino)benzoate?
You can request a quote for Butyl 4-(pyrazine-2-carbonylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-(pyrazine-2-carbonylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-(pyrazine-2-carbonylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.