3-Pyridylmethyl salicylate hydrochloride
TL;DR: 3-Pyridylmethyl salicylate hydrochloride (CAS 53890-73-6) is a chemical compound with molecular formula C13H12ClNO3 and molecular weight 265.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-1-ium-3-ylmethyl 2-hydroxybenzoate chloride
Also Known As: 3-Pyridylmethyl salicylate hydrochloride, 3-Pyridylmethylsalicylate hydrochloride, S-2063, Salicylic acid, 3-pyridylmethyl ester, hydrochloride, pyridin-1-ium-3-ylmethyl 2-hydroxybenzoate chloride
| Molecular Formula | C13H12ClNO3 |
|---|---|
| Molecular Weight | 265.05 g/mol |
| LogP | -1.43 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.05057 |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 53890-73-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC2=C[NH+]=CC=C2)O.[Cl-] |
| InChIKey | QBKWBUMZNBVBQP-UHFFFAOYSA-N |
Product Overview
3-Pyridylmethyl salicylate hydrochloride (CAS 53890-73-6), with molecular formula C13H12ClNO3 and molecular weight 265.05 g/mol. IUPAC: pyridin-1-ium-3-ylmethyl 2-hydroxybenzoate chloride.
Chemical Property Profile of 3-Pyridylmethyl salicylate hydrochloride
Property Insights of 3-Pyridylmethyl salicylate hydrochloride
The XLogP value of -1.43 indicates that 3-Pyridylmethyl salicylate hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridylmethyl salicylate hydrochloride. Following Lipinski's Rule of Five, 3-Pyridylmethyl salicylate hydrochloride has 2 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-Pyridylmethyl salicylate hydrochloride?
The CAS number of 3-Pyridylmethyl salicylate hydrochloride is 53890-73-6.
What is the molecular formula of 3-Pyridylmethyl salicylate hydrochloride?
The molecular formula of 3-Pyridylmethyl salicylate hydrochloride is C13H12ClNO3.
What is the molecular weight of 3-Pyridylmethyl salicylate hydrochloride?
The molecular weight of 3-Pyridylmethyl salicylate hydrochloride is 265.05 g/mol.
Where can I buy 3-Pyridylmethyl salicylate hydrochloride?
You can request a quote for 3-Pyridylmethyl salicylate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridylmethyl salicylate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridylmethyl salicylate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.