1H-pyrazol-1-yl(thiophen-2-yl)methanone
TL;DR: 1H-pyrazol-1-yl(thiophen-2-yl)methanone (CAS 312529-77-4) is a chemical compound with molecular formula C8H6N2OS and molecular weight 178.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrazol-1-yl(thiophen-2-yl)methanone
Also Known As: pyrazolyl 2-thienyl ketone, 1H-pyrazol-1-yl(thiophen-2-yl)methanone, pyrazol-1-yl(thiophen-2-yl)methanone, 1H-PYRAZOL-1-YL(2-THIENYL)METHANONE, A2011/0084449
| Molecular Formula | C8H6N2OS |
|---|---|
| Molecular Weight | 178.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.02008 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 312529-77-4 |
|---|---|
| SMILES | C1=CN(N=C1)C(=O)C2=CC=CS2 |
| InChIKey | XFVPOIDJXOOSMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-pyrazol-1-yl(thiophen-2-yl)methanone (CAS 312529-77-4), with molecular formula C8H6N2OS and molecular weight 178.02 g/mol. IUPAC: pyrazol-1-yl(thiophen-2-yl)methanone.
Chemical Property Profile of 1H-pyrazol-1-yl(thiophen-2-yl)methanone
Property Insights of 1H-pyrazol-1-yl(thiophen-2-yl)methanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-pyrazol-1-yl(thiophen-2-yl)methanone. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-pyrazol-1-yl(thiophen-2-yl)methanone. Following Lipinski's Rule of Five, 1H-pyrazol-1-yl(thiophen-2-yl)methanone has 0 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 1H-pyrazol-1-yl(thiophen-2-yl)methanone?
The CAS number of 1H-pyrazol-1-yl(thiophen-2-yl)methanone is 312529-77-4.
What is the molecular formula of 1H-pyrazol-1-yl(thiophen-2-yl)methanone?
The molecular formula of 1H-pyrazol-1-yl(thiophen-2-yl)methanone is C8H6N2OS.
What is the molecular weight of 1H-pyrazol-1-yl(thiophen-2-yl)methanone?
The molecular weight of 1H-pyrazol-1-yl(thiophen-2-yl)methanone is 178.02 g/mol.
Where can I buy 1H-pyrazol-1-yl(thiophen-2-yl)methanone?
You can request a quote for 1H-pyrazol-1-yl(thiophen-2-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-pyrazol-1-yl(thiophen-2-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 1H-pyrazol-1-yl(thiophen-2-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.