3-Pyridylmethylsalicylate
TL;DR: 3-Pyridylmethylsalicylate (CAS 16866-66-3) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-3-ylmethyl 2-hydroxybenzoate
Also Known As: 3-Pyridylmethylsalicylate, nicotinyl salicylate, pyridin-3-ylmethyl 2-hydroxybenzoate, (Pyridin-3-yl)methyl 2-hydroxybenzoate, RefChem:282421
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 16866-66-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC2=CN=CC=C2)O |
| InChIKey | IWBWXPBNVXPLRS-UHFFFAOYSA-N |
Product Overview
3-Pyridylmethylsalicylate (CAS 16866-66-3), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: pyridin-3-ylmethyl 2-hydroxybenzoate.
Chemical Property Profile of 3-Pyridylmethylsalicylate
Property Insights of 3-Pyridylmethylsalicylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridylmethylsalicylate. With a topological polar surface area (TPSA) of 59.4 Ų, 3-Pyridylmethylsalicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridylmethylsalicylate 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 3-Pyridylmethylsalicylate?
The CAS number of 3-Pyridylmethylsalicylate is 16866-66-3.
What is the molecular formula of 3-Pyridylmethylsalicylate?
The molecular formula of 3-Pyridylmethylsalicylate is C13H11NO3.
What is the molecular weight of 3-Pyridylmethylsalicylate?
The molecular weight of 3-Pyridylmethylsalicylate is 229.07 g/mol.
Where can I buy 3-Pyridylmethylsalicylate?
You can request a quote for 3-Pyridylmethylsalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridylmethylsalicylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridylmethylsalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.