RefChem:826748
TL;DR: RefChem:826748 (CAS 439092-50-9) is a chemical compound with molecular formula C14H12Br2Cl3N3O2 and molecular weight 516.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4,4-dibromo-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-3-yl]-2,2-dimethylpropanamide
Also Known As: N-[4,4-dibromo-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,2-dimethylpropanamide, N-(4,4-Dibromo-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)pivalamide, N-[4,4-dibromo-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-3-yl]-2,2-dimethyl-propanamide, N-[4,4-dibromo-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-3-yl]-2,2-dimethylpropanamide, 632-292-6
| Molecular Formula | C14H12Br2Cl3N3O2 |
|---|---|
| Molecular Weight | 516.84 g/mol |
| LogP | 4.9553 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 516.8362 |
| Heavy Atoms | 24 |
| Complexity | 737.11694 |
Chemical Identifiers
| CAS Number | 439092-50-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC1=NN(C(=O)C1(Br)Br)C2=C(C=C(C=C2Cl)Cl)Cl |
Product Overview
RefChem:826748 (CAS 439092-50-9), with molecular formula C14H12Br2Cl3N3O2 and molecular weight 516.84 g/mol. IUPAC: N-[4,4-dibromo-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-3-yl]-2,2-dimethylpropanamide.
Chemical Property Profile of RefChem:826748
Property Insights of RefChem:826748
The XLogP value of 4.9553 indicates that RefChem:826748 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:826748. Following Lipinski's Rule of Five, RefChem:826748 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:826748?
The CAS number of RefChem:826748 is 439092-50-9.
What is the molecular formula of RefChem:826748?
The molecular formula of RefChem:826748 is C14H12Br2Cl3N3O2.
What is the molecular weight of RefChem:826748?
The molecular weight of RefChem:826748 is 516.84 g/mol.
Where can I buy RefChem:826748?
You can request a quote for RefChem:826748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:826748?
Yes, KEHONG BIO provides custom synthesis services for RefChem:826748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.