RefChem:322005
TL;DR: RefChem:322005 (CAS 102126-85-2) is a chemical compound with molecular formula C19H11BrF3N5O5 and molecular weight 524.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C19H11BrF3N5O5 |
|---|---|
| Molecular Weight | 524.99 g/mol |
| LogP | 4.9203 |
| Topological Polar Surface Area | 136.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 524.98956 |
| Heavy Atoms | 33 |
| Complexity | 1221.1855 |
Chemical Identifiers
| CAS Number | 102126-85-2 |
|---|---|
| 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-] |
Product Overview
RefChem:322005 (CAS 102126-85-2), with molecular formula C19H11BrF3N5O5 and molecular weight 524.99 g/mol. IUPAC: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-nitrobenzamide.
Chemical Property Profile of RefChem:322005
Property Insights of RefChem:322005
The XLogP value of 4.9203 indicates that RefChem:322005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.35 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 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: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 524.99 g/mol.
Where can I buy RefChem:322005?
You can request a quote for RefChem:322005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322005?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.