Pyridin-2-yl 4-nitrobenzoate
TL;DR: Pyridin-2-yl 4-nitrobenzoate (CAS 5366-37-0) is a chemical compound with molecular formula C12H8N2O4 and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-2-yl 4-nitrobenzoate
Also Known As: Pyridin-2-yl 4-nitrobenzoate, 4-nitrobenzoic acid 2-pyridinyl ester, 4-Nitrobenzoic acid 2-pyridyl ester, J2.102.022B
| Molecular Formula | C12H8N2O4 |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 2.209 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0484 |
| Heavy Atoms | 18 |
| Complexity | 566.3911 |
Chemical Identifiers
| CAS Number | 5366-37-0 |
|---|---|
| SMILES | C1=CC=NC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Pyridin-2-yl 4-nitrobenzoate (CAS 5366-37-0), with molecular formula C12H8N2O4 and molecular weight 244.05 g/mol. IUPAC: pyridin-2-yl 4-nitrobenzoate.
Chemical Property Profile of Pyridin-2-yl 4-nitrobenzoate
Property Insights of Pyridin-2-yl 4-nitrobenzoate
The XLogP value of 2.209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridin-2-yl 4-nitrobenzoate. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridin-2-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, Pyridin-2-yl 4-nitrobenzoate has 0 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 Pyridin-2-yl 4-nitrobenzoate?
The CAS number of Pyridin-2-yl 4-nitrobenzoate is 5366-37-0.
What is the molecular formula of Pyridin-2-yl 4-nitrobenzoate?
The molecular formula of Pyridin-2-yl 4-nitrobenzoate is C12H8N2O4.
What is the molecular weight of Pyridin-2-yl 4-nitrobenzoate?
The molecular weight of Pyridin-2-yl 4-nitrobenzoate is 244.05 g/mol.
Where can I buy Pyridin-2-yl 4-nitrobenzoate?
You can request a quote for Pyridin-2-yl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridin-2-yl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Pyridin-2-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.