![1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole structure](/static/products/116/1164513-69-2.png)
1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole
TL;DR: 1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole (CAS 1164513-69-2) is a chemical compound with molecular formula C12H8Cl2N2O and molecular weight 266.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dichlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one
Also Known As: 1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole, (E)-3-(3,4-dichlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one, (2E)-3-(3,4-dichlorophenyl)-1-pyrazolylprop-2-en-1-one, (2E)-3-(3,4-dichlorophenyl)-1-(1H-pyrazol-1-yl)prop-2-en-1-one
| Molecular Formula | C12H8Cl2N2O |
|---|---|
| Molecular Weight | 266.00 g/mol |
| LogP | 3.5435 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.00137 |
| Heavy Atoms | 17 |
| Complexity | 561.8895 |
Chemical Identifiers
| CAS Number | 1164513-69-2 |
|---|---|
| SMILES | C1=CN(N=C1)C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl |
Product Overview
1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole (CAS 1164513-69-2), with molecular formula C12H8Cl2N2O and molecular weight 266.00 g/mol. IUPAC: (E)-3-(3,4-dichlorophenyl)-1-pyrazol-1-ylprop-2-en-1-one.
Chemical Property Profile of 1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole
Property Insights of 1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole
The XLogP value of 3.5435 indicates that 1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole 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-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole 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-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole?
The CAS number of 1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole is 1164513-69-2.
What is the molecular formula of 1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole?
The molecular formula of 1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole is C12H8Cl2N2O.
What is the molecular weight of 1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole?
The molecular weight of 1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole is 266.00 g/mol.
Where can I buy 1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole?
You can request a quote for 1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(3,4-dichlorophenyl)acryloyl]-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.