Salicylic acid, nicotinate
TL;DR: Salicylic acid, nicotinate (CAS 6629-79-4) is a chemical compound with molecular formula C13H9NO4 and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridine-3-carbonyloxy)benzoic acid
Also Known As: Salicylic acid, nicotinate, nicotinatesalicylic acid, NICOTINYLSALICYLIC ACID, 2-(pyridine-3-carbonyloxy)benzoic acid, 2-nicotinoyloxy-benzoic acid
| Molecular Formula | C13H9NO4 |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.05316 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 6629-79-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)OC(=O)C2=CN=CC=C2 |
| InChIKey | NAKABSUZLYLPNN-UHFFFAOYSA-N |
Product Overview
Salicylic acid, nicotinate (CAS 6629-79-4), with molecular formula C13H9NO4 and molecular weight 243.05 g/mol. IUPAC: 2-(pyridine-3-carbonyloxy)benzoic acid.
Chemical Property Profile of Salicylic acid, nicotinate
Property Insights of Salicylic acid, nicotinate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Salicylic acid, nicotinate. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Salicylic acid, nicotinate. Following Lipinski's Rule of Five, Salicylic acid, nicotinate has 1 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 Salicylic acid, nicotinate?
The CAS number of Salicylic acid, nicotinate is 6629-79-4.
What is the molecular formula of Salicylic acid, nicotinate?
The molecular formula of Salicylic acid, nicotinate is C13H9NO4.
What is the molecular weight of Salicylic acid, nicotinate?
The molecular weight of Salicylic acid, nicotinate is 243.05 g/mol.
Where can I buy Salicylic acid, nicotinate?
You can request a quote for Salicylic acid, nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Salicylic acid, nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Salicylic acid, nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.