RefChem:322005
TL;DR: RefChem:322005 (CAS 102126-85-2) is a chemical compound with molecular formula C19H11BrF3N5O5 and molecular weight 524.98956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[4-(5-bromopyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-nitrobenzamide
Also Known As: Benzamide, N-(((4-((5-bromo-2-pyrimidinyl)oxy)-3-(trifluoromethyl)phenyl)amino)carbonyl)-2-nitro-, N-(2-Nitrobenzoyl)-N'-(4-(5-bromo-2-pyrimidinyloxy)-3-trifluoromethylphenyl)urea, 1-(2-Nitrobenzoyl)-3-[4-[(5-bromo-2-pyrimidinyl)oxy]-3-trifluoromethylphenyl]urea, 1-{4-[(5-bromopyrimidin-2-yl)oxy]-3-(trifluoromethyl)phenyl}-3-(2-nitrobenzoyl)urea, N-({4-[(5-Bromopyrimidin-2-yl)oxy]-3-(trifluoromethyl)phenyl}carbamoyl)-2-nitrobenzamide
Technical Specifications
| Molecular Formula | C19H11BrF3N5O5 |
| Molecular Weight | 524.98956 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 524.98956 Da |
| Heavy Atoms | 33 |
| Complexity | 717.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | BAVQPFDJQVONSP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:322005
Property Insights of RefChem:322005
The XLogP value of 4.5 indicates that RefChem:322005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:322005. Following Lipinski's Rule of Five, RefChem:322005 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:322005?
The CAS number of RefChem:322005 is 102126-85-2.
What is the molecular formula of RefChem:322005?
The molecular formula of RefChem:322005 is C19H11BrF3N5O5.
What is the molecular weight of RefChem:322005?
The molecular weight of RefChem:322005 is 524.98956 g/mol.
Where can I buy RefChem:322005?
You can request a quote for RefChem:322005 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:322005?
Yes, CoreyChem provides custom synthesis services for RefChem:322005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.