3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde
TL;DR: 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde (CAS 696646-80-7) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde
Also Known As: 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde, 5-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde, 3-(4-butoxyphenyl)-2H-pyrazole-4-carbaldehyde
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 3.0681 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 502.7675 |
Chemical Identifiers
| CAS Number | 696646-80-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2=C(C=NN2)C=O |
Product Overview
3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde (CAS 696646-80-7), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: 5-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde.
Chemical Property Profile of 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde
Property Insights of 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde
The XLogP value of 3.0681 indicates that 3-(4-butoxyphenyl)-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 54.98 Ų, 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde 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 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde?
The CAS number of 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde is 696646-80-7.
What is the molecular formula of 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde?
The molecular formula of 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde is C14H16N2O2.
What is the molecular weight of 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde?
The molecular weight of 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde is 244.12 g/mol.
Where can I buy 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde?
You can request a quote for 3-(4-butoxyphenyl)-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 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.