NCI60_018054
TL;DR: NCI60_018054 (CAS 101868-30-8) is a chemical compound with molecular formula C19H16Br2N4O3 and molecular weight 505.95892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dibromo-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
Also Known As: NCI60_018054, Benzoic acid, 3,5-dibromo-2-hydroxy-, [(2,5-dihydro-2,3-dime, Benzoic acid,3,5-dibromo-2-hydroxy-,2-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylene]hydrazide, 3,5-Dibromo-N'-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)-2-hydroxybenzohydrazide, 3,5-dibromo-N'-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylidene]-2-hydroxybenzo
Technical Specifications
| Molecular Formula | C19H16Br2N4O3 |
| Molecular Weight | 505.95892 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 505.95892 Da |
| Heavy Atoms | 28 |
| Complexity | 678.0 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=O)C3=C(C(=CC(=C3)Br)Br)O |
| InChIKey | MCHSUKWGSALGLY-UHFFFAOYSA-N |
Chemical Property Profile of NCI60_018054
Property Insights of NCI60_018054
The XLogP value of 4.7 indicates that NCI60_018054 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_018054. Following Lipinski's Rule of Five, NCI60_018054 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of NCI60_018054?
The CAS number of NCI60_018054 is 101868-30-8.
What is the molecular formula of NCI60_018054?
The molecular formula of NCI60_018054 is C19H16Br2N4O3.
What is the molecular weight of NCI60_018054?
The molecular weight of NCI60_018054 is 505.95892 g/mol.
Where can I buy NCI60_018054?
You can request a quote for NCI60_018054 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NCI60_018054?
Yes, CoreyChem provides custom synthesis services for NCI60_018054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.