Pyrazolyl coumarin
TL;DR: Pyrazolyl coumarin (CAS 82225-68-1) is a chemical compound with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-pyrazol-5-yl)chromen-2-one
Also Known As: pyrazolyl coumarin, Maybridge3_002960, 3-(1H-pyrazol-5-yl)chromen-2-one, IDI1_014347, 3-(1H-pyrazol-3-yl)-2H-chromen-2-one
| Molecular Formula | C12H8N2O2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 2.1831 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.05858 |
| Heavy Atoms | 16 |
| Complexity | 683.5602 |
Chemical Identifiers
| CAS Number | 82225-68-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=NN3 |
Product Overview
Pyrazolyl coumarin (CAS 82225-68-1), with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol. IUPAC: 3-(1H-pyrazol-5-yl)chromen-2-one.
Chemical Property Profile of Pyrazolyl coumarin
Property Insights of Pyrazolyl coumarin
The XLogP value of 2.1831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazolyl coumarin. With a topological polar surface area (TPSA) of 58.89 Ų, Pyrazolyl coumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazolyl coumarin 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 Pyrazolyl coumarin?
The CAS number of Pyrazolyl coumarin is 82225-68-1.
What is the molecular formula of Pyrazolyl coumarin?
The molecular formula of Pyrazolyl coumarin is C12H8N2O2.
What is the molecular weight of Pyrazolyl coumarin?
The molecular weight of Pyrazolyl coumarin is 212.06 g/mol.
Where can I buy Pyrazolyl coumarin?
You can request a quote for Pyrazolyl coumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazolyl coumarin?
Yes, KEHONG BIO provides custom synthesis services for Pyrazolyl coumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.