1H-Pyrazole,1-(chloromethyl)
TL;DR: 1H-Pyrazole,1-(chloromethyl) (CAS 84968-50-3) is a chemical compound with molecular formula C21H17BrN2O2S and molecular weight 440.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromophenyl)-3-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-1,3-thiazolidin-4-one
Also Known As: 1H-Pyrazole,1-(chloromethyl), 4-Thiazolidinone, 2-(3-bromophenyl)-3-(3-methyl-5-(2-phenylethenyl)-4-isoxazolyl)-, 2-(3-bromophenyl)-3-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-1,3-thiazolidin-4-one, 2-(3-Bromo-phenyl)-3-[3-methyl-5-((E)-styryl)-isoxazol-4-yl]-thiazolidin-4-one
| Molecular Formula | C21H17BrN2O2S |
|---|---|
| Molecular Weight | 440.02 g/mol |
| LogP | 5.69452 |
| Topological Polar Surface Area | 46.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.0194 |
| Heavy Atoms | 27 |
| Complexity | 1000.426 |
Chemical Identifiers
| CAS Number | 84968-50-3 |
|---|---|
| SMILES | CC1=NOC(=C1N2C(SCC2=O)C3=CC(=CC=C3)Br)/C=C/C4=CC=CC=C4 |
Product Overview
1H-Pyrazole,1-(chloromethyl) (CAS 84968-50-3), with molecular formula C21H17BrN2O2S and molecular weight 440.02 g/mol. IUPAC: 2-(3-bromophenyl)-3-[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]-1,3-thiazolidin-4-one.
Chemical Property Profile of 1H-Pyrazole,1-(chloromethyl)
Property Insights of 1H-Pyrazole,1-(chloromethyl)
The XLogP value of 5.69452 indicates that 1H-Pyrazole,1-(chloromethyl) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.34 Ų, 1H-Pyrazole,1-(chloromethyl) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole,1-(chloromethyl) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Pyrazole,1-(chloromethyl)?
The CAS number of 1H-Pyrazole,1-(chloromethyl) is 84968-50-3.
What is the molecular formula of 1H-Pyrazole,1-(chloromethyl)?
The molecular formula of 1H-Pyrazole,1-(chloromethyl) is C21H17BrN2O2S.
What is the molecular weight of 1H-Pyrazole,1-(chloromethyl)?
The molecular weight of 1H-Pyrazole,1-(chloromethyl) is 440.02 g/mol.
Where can I buy 1H-Pyrazole,1-(chloromethyl)?
You can request a quote for 1H-Pyrazole,1-(chloromethyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole,1-(chloromethyl)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole,1-(chloromethyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.