RefChem:505791
TL;DR: RefChem:505791 (CAS 67923-41-5) is a chemical compound with molecular formula C17H11Cl2F3N4O and molecular weight 414.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-4-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-5-methyl-4H-pyrazol-3-one
Also Known As: 2-(4-Chlorophenyl)-4-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-2,4-dihydro-5-methyl-3H-pyrazol-3-one, 2-(4-Chlorophenyl)-4-((4-chloro-2-(trifluoromethyl)phenyl)azo)-2,4-dihydro-5-methyl-3H-pyrazol-3-one, 2- -4-[[4-chloro-2- phenyl]azo]-2,4-dihydro-5-methyl-3H-pyrazol-3-one, 2-4-[[4-chloro-2- phenyl]azo]-2,4-dihydro-5-methyl-3h-pyrazol-3-one, 3H-Pyrazol-3-one, 2-(4-chlorophenyl)-4-((4-chloro-2-(trifluoromethyl)phenyl)azo)-2,4-dihydro-5-methyl-
| Molecular Formula | C17H11Cl2F3N4O |
|---|---|
| Molecular Weight | 414.03 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.0262 |
| Heavy Atoms | 27 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 67923-41-5 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)Cl)C(F)(F)F)C3=CC=C(C=C3)Cl |
| InChIKey | XBOFPBRUOXECDR-UHFFFAOYSA-N |
Product Overview
RefChem:505791 (CAS 67923-41-5), with molecular formula C17H11Cl2F3N4O and molecular weight 414.03 g/mol. IUPAC: 2-(4-chlorophenyl)-4-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of RefChem:505791
Property Insights of RefChem:505791
The XLogP value of 5.5 indicates that RefChem:505791 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, RefChem:505791 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:505791 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:505791?
The CAS number of RefChem:505791 is 67923-41-5.
What is the molecular formula of RefChem:505791?
The molecular formula of RefChem:505791 is C17H11Cl2F3N4O.
What is the molecular weight of RefChem:505791?
The molecular weight of RefChem:505791 is 414.03 g/mol.
Where can I buy RefChem:505791?
You can request a quote for RefChem:505791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505791?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.