1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde
TL;DR: 1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde (CAS 512809-87-9) is a chemical compound with molecular formula C17H12Cl2N2O and molecular weight 330.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,6-dichlorophenyl)methyl]-4-phenylpyrazole-3-carbaldehyde
Also Known As: 1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde, 1-[(2,6-dichlorophenyl)methyl]-4-phenylpyrazole-3-carbaldehyde, 1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazole-4-carbaldehyde
| Molecular Formula | C17H12Cl2N2O |
|---|---|
| Molecular Weight | 330.03 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.03265 |
| Heavy Atoms | 22 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 512809-87-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CN(N=C2C=O)CC3=C(C=CC=C3Cl)Cl |
| InChIKey | ZCIJBEOPDPYEKF-UHFFFAOYSA-N |
Product Overview
1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde (CAS 512809-87-9), with molecular formula C17H12Cl2N2O and molecular weight 330.03 g/mol. IUPAC: 1-[(2,6-dichlorophenyl)methyl]-4-phenylpyrazole-3-carbaldehyde.
Chemical Property Profile of 1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde
Property Insights of 1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde
The XLogP value of 4.5 indicates that 1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.9 Ų, 1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde 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 1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde?
The CAS number of 1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde is 512809-87-9.
What is the molecular formula of 1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde?
The molecular formula of 1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde is C17H12Cl2N2O.
What is the molecular weight of 1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde?
The molecular weight of 1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde is 330.03 g/mol.
Where can I buy 1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde?
You can request a quote for 1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-dichlorobenzyl)-4-phenyl-1H-pyrazole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.