Acetaminophen nicotinate
TL;DR: Acetaminophen nicotinate (CAS 4972-65-0) is a chemical compound with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamidophenyl) pyridine-3-carboxylate
Also Known As: Acetaminophen nicotinate, Paracetamol nicotinate, 4-acetamidophenyl nicotinate, 2-Acetamidophenyl nicotinate, Paracetamol nicotinate [WHO-DD]
| Molecular Formula | C14H12N2O3 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.2592 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.08478 |
| Heavy Atoms | 19 |
| Complexity | 579.3999 |
Chemical Identifiers
| CAS Number | 4972-65-0 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 |
Product Overview
Acetaminophen nicotinate (CAS 4972-65-0), with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol. IUPAC: (4-acetamidophenyl) pyridine-3-carboxylate.
Chemical Property Profile of Acetaminophen nicotinate
Property Insights of Acetaminophen nicotinate
The XLogP value of 2.2592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetaminophen nicotinate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetaminophen nicotinate. Following Lipinski's Rule of Five, Acetaminophen nicotinate has 1 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 Acetaminophen nicotinate?
The CAS number of Acetaminophen nicotinate is 4972-65-0.
What is the molecular formula of Acetaminophen nicotinate?
The molecular formula of Acetaminophen nicotinate is C14H12N2O3.
What is the molecular weight of Acetaminophen nicotinate?
The molecular weight of Acetaminophen nicotinate is 256.08 g/mol.
Where can I buy Acetaminophen nicotinate?
You can request a quote for Acetaminophen nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetaminophen nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Acetaminophen nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.