3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde
TL;DR: 3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde (CAS 588687-35-8) is a chemical compound with molecular formula C17H14N2O and molecular weight 262.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-phenylpyrazole-4-carbaldehyde
Also Known As: 1-benzyl-3-phenyl-1H-pyrazole-4-carbaldehyde, 1-benzyl-3-phenylpyrazole-4-carbaldehyde, 3-phenyl-1-benzylpyrazole-4-carbaldehyde, 1-benzyl-3-phenyl-pyrazole-4-carbaldehyde, 1-Benzyl-3-phenyl-1H-pyrazole-4-carboxaldehyde
| Molecular Formula | C17H14N2O |
|---|---|
| Molecular Weight | 262.11 g/mol |
| LogP | 3.4109 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.11063 |
| Heavy Atoms | 20 |
| Complexity | 702.3696 |
Chemical Identifiers
| CAS Number | 588687-35-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)C=O |
Product Overview
3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde (CAS 588687-35-8), with molecular formula C17H14N2O and molecular weight 262.11 g/mol. IUPAC: 1-benzyl-3-phenylpyrazole-4-carbaldehyde.
Chemical Property Profile of 3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde
Property Insights of 3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde
The XLogP value of 3.4109 indicates that 3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde has 0 hydrogen bond donor(s) and 2 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-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde?
The CAS number of 3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde is 588687-35-8.
What is the molecular formula of 3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde?
The molecular formula of 3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde is C17H14N2O.
What is the molecular weight of 3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde?
The molecular weight of 3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde is 262.11 g/mol.
Where can I buy 3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde?
You can request a quote for 3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-1-(phenylmethyl)-1H-pyrazole-4-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.