吡嗪甲酸对硝基苯酯
TL;DR: 吡嗪甲酸对硝基苯酯 (CAS 20088-23-7) is a chemical compound with molecular formula C11H7N3O4 and molecular weight 245.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡嗪甲酸对硝基苯酯
(4-nitrophenyl) pyrazine-2-carboxylate
Also Known As: 4-Nitrophenyl pyrazinoate, Pyrazinecarboxylic acid, p-nitrophenyl ester, (4-nitrophenyl) pyrazine-2-carboxylate, 4-nitrophenyl 2-pyrazinecarboxylate, 4-NITROPHENYL PYRAZINE-2-CARBOXYLATE
| Molecular Formula | C11H7N3O4 |
|---|---|
| Molecular Weight | 245.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.04366 |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 20088-23-7 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C2=NC=CN=C2 |
| InChIKey | BCDUISSCCYHFOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡嗪甲酸对硝基苯酯 (CAS 20088-23-7), with molecular formula C11H7N3O4 and molecular weight 245.04 g/mol. IUPAC: (4-nitrophenyl) pyrazine-2-carboxylate.
Chemical Property Profile of 吡嗪甲酸对硝基苯酯
Property Insights of 吡嗪甲酸对硝基苯酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吡嗪甲酸对硝基苯酯. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 吡嗪甲酸对硝基苯酯. Following Lipinski's Rule of Five, 吡嗪甲酸对硝基苯酯 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 吡嗪甲酸对硝基苯酯?
The CAS number of 吡嗪甲酸对硝基苯酯 is 20088-23-7.
What is the molecular formula of 吡嗪甲酸对硝基苯酯?
The molecular formula of 吡嗪甲酸对硝基苯酯 is C11H7N3O4.
What is the molecular weight of 吡嗪甲酸对硝基苯酯?
The molecular weight of 吡嗪甲酸对硝基苯酯 is 245.04 g/mol.
Where can I buy 吡嗪甲酸对硝基苯酯?
You can request a quote for 吡嗪甲酸对硝基苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡嗪甲酸对硝基苯酯?
Yes, KEHONG BIO provides custom synthesis services for 吡嗪甲酸对硝基苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.