Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester
TL;DR: Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester (CAS 132172-94-2) is a chemical compound with molecular formula C15H16N2O2 and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl) pyrazine-2-carboxylate
Also Known As: 4-tert-Butylphenyl pyrazinoate, 4-tert-butylphenyl pyrazine-2-carboxylate, Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester, (4-tert-butylphenyl) pyrazine-2-carboxylate, BRN 5340584
| Molecular Formula | C15H16N2O2 |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.1212 |
| Heavy Atoms | 19 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 132172-94-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=NC=CN=C2 |
| InChIKey | DYBUAUUVOLDMCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester (CAS 132172-94-2), with molecular formula C15H16N2O2 and molecular weight 256.12 g/mol. IUPAC: (4-tert-butylphenyl) pyrazine-2-carboxylate.
Chemical Property Profile of Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester
Property Insights of Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester
The XLogP value of 3.1 indicates that Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.1 Ų, Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester has 0 hydrogen bond donor(s) and 4 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 Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester?
The CAS number of Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester is 132172-94-2.
What is the molecular formula of Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester?
The molecular formula of Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester is C15H16N2O2.
What is the molecular weight of Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester?
The molecular weight of Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester is 256.12 g/mol.
Where can I buy Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester?
You can request a quote for Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.