1-(chloroacetyl)-3-phenyl-4,5-dihydro-1H-pyrazole
TL;DR: 1-(chloroacetyl)-3-phenyl-4,5-dihydro-1H-pyrazole (CAS 790263-78-4) is a chemical compound with molecular formula C11H11ClN2O and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
Also Known As: 1-(chloroacetyl)-3-phenyl-4,5-dihydro-1H-pyrazole, 2-Chloro-1-(4,5-dihydro-3-phenyl-1H-pyrazol-1-yl)ethanone, 2-chloro-1-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one, 2-chloro-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone, 2-Chloro-1-(3-phenyl-4,5-dihydro-1-pyrazolyl)ethanone
| Molecular Formula | C11H11ClN2O |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 1.8618 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.05598 |
| Heavy Atoms | 15 |
| Complexity | 388.8342 |
Chemical Identifiers
| CAS Number | 790263-78-4 |
|---|---|
| SMILES | C1CN(N=C1C2=CC=CC=C2)C(=O)CCl |
Product Overview
1-(chloroacetyl)-3-phenyl-4,5-dihydro-1H-pyrazole (CAS 790263-78-4), with molecular formula C11H11ClN2O and molecular weight 222.06 g/mol. IUPAC: 2-chloro-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
Chemical Property Profile of 1-(chloroacetyl)-3-phenyl-4,5-dihydro-1H-pyrazole
Property Insights of 1-(chloroacetyl)-3-phenyl-4,5-dihydro-1H-pyrazole
The XLogP value of 1.8618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(chloroacetyl)-3-phenyl-4,5-dihydro-1H-pyrazole. With a topological polar surface area (TPSA) of 32.67 Ų, 1-(chloroacetyl)-3-phenyl-4,5-dihydro-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(chloroacetyl)-3-phenyl-4,5-dihydro-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-(chloroacetyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
The CAS number of 1-(chloroacetyl)-3-phenyl-4,5-dihydro-1H-pyrazole is 790263-78-4.
What is the molecular formula of 1-(chloroacetyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
The molecular formula of 1-(chloroacetyl)-3-phenyl-4,5-dihydro-1H-pyrazole is C11H11ClN2O.
What is the molecular weight of 1-(chloroacetyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
The molecular weight of 1-(chloroacetyl)-3-phenyl-4,5-dihydro-1H-pyrazole is 222.06 g/mol.
Where can I buy 1-(chloroacetyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
You can request a quote for 1-(chloroacetyl)-3-phenyl-4,5-dihydro-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-(chloroacetyl)-3-phenyl-4,5-dihydro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(chloroacetyl)-3-phenyl-4,5-dihydro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.