4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate
TL;DR: 4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate (CAS 695167-93-2) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate
Also Known As: 4-(isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate, AT-057/43469200, 4-(isopropoxycarbonyl)benzyl pyrazine-2-carboxylate, (4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate, methylethyl 4-(pyrazin-2-ylcarbonyloxymethyl)benzoate
| Molecular Formula | C16H16N2O4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 2.3988 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.111 |
| Heavy Atoms | 22 |
| Complexity | 638.9552 |
Chemical Identifiers
| CAS Number | 695167-93-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)COC(=O)C2=NC=CN=C2 |
Product Overview
4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate (CAS 695167-93-2), with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol. IUPAC: (4-propan-2-yloxycarbonylphenyl)methyl pyrazine-2-carboxylate.
Chemical Property Profile of 4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate
Property Insights of 4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate
The XLogP value of 2.3988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate. The TPSA of 78.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate. Following Lipinski's Rule of Five, 4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate 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 4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate?
The CAS number of 4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate is 695167-93-2.
What is the molecular formula of 4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate?
The molecular formula of 4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate is C16H16N2O4.
What is the molecular weight of 4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate?
The molecular weight of 4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate is 300.11 g/mol.
Where can I buy 4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate?
You can request a quote for 4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Isopropoxycarbonyl)benzyl 2-pyrazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.