Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride
TL;DR: Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride (CAS 67210-68-8) is a chemical compound with molecular formula C15H12ClNO3 and molecular weight 289.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-4-methyl-3-pyridin-1-ium-3-ylchromen-2-one chloride
Also Known As: 7-Hydroxy-4-methyl-3-(3-pyridyl)coumarin hydrochloride, COUMARIN, 7-HYDROXY-4-METHYL-3-(3-PYRIDYL)-, HYDROCHLORIDE, 7-hydroxy-4-methyl-3-pyridin-1-ium-3-ylchromen-2-one chloride, 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-3-(3-pyridinyl)-, hydrochloride, RefChem:1082244
| Molecular Formula | C15H12ClNO3 |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | -0.70788 |
| Topological Polar Surface Area | 64.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.05057 |
| Heavy Atoms | 20 |
| Complexity | 812.4567 |
Chemical Identifiers
| CAS Number | 67210-68-8 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)O)C3=C[NH+]=CC=C3.[Cl-] |
Product Overview
Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride (CAS 67210-68-8), with molecular formula C15H12ClNO3 and molecular weight 289.05 g/mol. IUPAC: 7-hydroxy-4-methyl-3-pyridin-1-ium-3-ylchromen-2-one chloride.
Chemical Property Profile of Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride
Property Insights of Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride
The XLogP value of -0.70788 indicates that Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride. Following Lipinski's Rule of Five, Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride has 1 hydrogen bond donor(s) and 3 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 Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride?
The CAS number of Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride is 67210-68-8.
What is the molecular formula of Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride?
The molecular formula of Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride is C15H12ClNO3.
What is the molecular weight of Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride?
The molecular weight of Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride is 289.05 g/mol.
Where can I buy Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride?
You can request a quote for Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.