4-Nitrophenyl picolinate
TL;DR: 4-Nitrophenyl picolinate (CAS 74104-89-5) 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.
(4-nitrophenyl) pyridine-2-carboxylate
Also Known As: p-nitrophenyl picolinate, 4-nitrophenyl picolinate, (4-nitrophenyl) pyridine-2-carboxylate, 4-nitrophenyl pyridine-2-carboxylate, Picolinic acid 4-nitrophenyl ester
| Molecular Formula | C12H8N2O4 |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0484 |
| Heavy Atoms | 18 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 74104-89-5 |
|---|---|
| SMILES | C1=CC=NC(=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | UFHVNJIPPMYVHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl picolinate (CAS 74104-89-5), with molecular formula C12H8N2O4 and molecular weight 244.05 g/mol. IUPAC: (4-nitrophenyl) pyridine-2-carboxylate.
Chemical Property Profile of 4-Nitrophenyl picolinate
Property Insights of 4-Nitrophenyl picolinate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl picolinate. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl picolinate. Following Lipinski's Rule of Five, 4-Nitrophenyl picolinate 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 4-Nitrophenyl picolinate?
The CAS number of 4-Nitrophenyl picolinate is 74104-89-5.
What is the molecular formula of 4-Nitrophenyl picolinate?
The molecular formula of 4-Nitrophenyl picolinate is C12H8N2O4.
What is the molecular weight of 4-Nitrophenyl picolinate?
The molecular weight of 4-Nitrophenyl picolinate is 244.05 g/mol.
Where can I buy 4-Nitrophenyl picolinate?
You can request a quote for 4-Nitrophenyl picolinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl picolinate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl picolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.