1,2-dibromo-3,4-dichlorooxanthrene
TL;DR: 1,2-dibromo-3,4-dichlorooxanthrene (CAS 117620-77-6) is a chemical compound with molecular formula C17H21ClN4O2 and molecular weight 348.1353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(5-tert-butyl-6-chloropyridazin-3-yl)oxyphenyl]-1,1-dimethylurea
Also Known As: 1,2-dibromo-3,4-dichlorooxanthrene, N'-(4-((6-Chloro-5-(1,1-dimethylethyl)-3-pyridazinyl)oxy)phenyl)-N,N-dimethylurea, Urea, N'-(4-((6-chloro-5-(1,1-dimethylethyl)-3-pyridazinyl)oxy)phenyl)-N,N-dimethyl-, N'-(4-((6-Chloro-5-tert-butyl-3-pyridazinyl)oxyl)phenyl)-N,N-dimethylurea, N'-[4-[(6-Chloro-5-tert-butyl-3-pyridazinyl)oxyl]phenyl]-N,N-dimethylurea
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H21ClN4O2 |
| Molecular Weight | 348.1353 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.1353 Da |
| Heavy Atoms | 24 |
| Complexity | 419.0 |
| SMILES | CC(C)(C)C1=CC(=NN=C1Cl)OC2=CC=C(C=C2)NC(=O)N(C)C |
| InChIKey | NKTQNZHZRDUFDU-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-dibromo-3,4-dichlorooxanthrene
Property Insights of 1,2-dibromo-3,4-dichlorooxanthrene
The XLogP value of 3.5 indicates that 1,2-dibromo-3,4-dichlorooxanthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-dibromo-3,4-dichlorooxanthrene. Following Lipinski's Rule of Five, 1,2-dibromo-3,4-dichlorooxanthrene has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2-dibromo-3,4-dichlorooxanthrene?
The CAS number of 1,2-dibromo-3,4-dichlorooxanthrene is 117620-77-6.
What is the molecular formula of 1,2-dibromo-3,4-dichlorooxanthrene?
The molecular formula of 1,2-dibromo-3,4-dichlorooxanthrene is C17H21ClN4O2.
What is the molecular weight of 1,2-dibromo-3,4-dichlorooxanthrene?
The molecular weight of 1,2-dibromo-3,4-dichlorooxanthrene is 348.1353 g/mol.
Where can I buy 1,2-dibromo-3,4-dichlorooxanthrene?
You can request a quote for 1,2-dibromo-3,4-dichlorooxanthrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-dibromo-3,4-dichlorooxanthrene?
Yes, CoreyChem provides custom synthesis services for 1,2-dibromo-3,4-dichlorooxanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.