1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
TL;DR: 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde (CAS 956438-63-4) is a chemical compound with molecular formula C15H12N2OS and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-thiophen-2-ylpyrazole-4-carbaldehyde
Also Known As: 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde, 1-benzyl-3-thien-2-yl-1H-pyrazole-4-carbaldehyde, 1-benzyl-3-thiophen-2-ylpyrazole-4-carbaldehyde, 1-Benzyl-3-(2-thienyl)pyrazole-4-carbaldehyde, 1-BENZYL-3-(THIOPHEN-2-YL)PYRAZOLE-4-CARBALDEHYDE
| Molecular Formula | C15H12N2OS |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.4724 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.06705 |
| Heavy Atoms | 19 |
| Complexity | 671.5057 |
Chemical Identifiers
| CAS Number | 956438-63-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C=O |
Product Overview
1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde (CAS 956438-63-4), with molecular formula C15H12N2OS and molecular weight 268.07 g/mol. IUPAC: 1-benzyl-3-thiophen-2-ylpyrazole-4-carbaldehyde.
Chemical Property Profile of 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
Property Insights of 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
The XLogP value of 3.4724 indicates that 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde 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 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde?
The CAS number of 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde is 956438-63-4.
What is the molecular formula of 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde?
The molecular formula of 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde is C15H12N2OS.
What is the molecular weight of 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde?
The molecular weight of 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde is 268.07 g/mol.
Where can I buy 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde?
You can request a quote for 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.