TL;DR: CAS 1007459-94-0 - C35H27BrN4O3 (CAS 1007459-94-0) is a chemical compound with molecular formula C35H27BrN4O3 and molecular weight 630.12665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-bromonaphthalen-2-yl)oxy-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
Also Known As: 2-(1-bromonaphthalen-2-yl)oxy-N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]acetamide
| Molecular Formula | C35H27BrN4O3 |
| Molecular Weight | 630.12665 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 77.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 630.12665 Da |
| Heavy Atoms | 43 |
| Complexity | 886.0 |
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C=C3/C=N\NC(=O)COC4=C(C5=CC=CC=C5C=C4)Br)C6=CC=CC=C6 |
| InChIKey | CECCHBVJNZKHGN-DBSPGSINSA-N |
The XLogP value of 7.9 indicates that CAS 1007459-94-0 - C35H27BrN4O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 1007459-94-0 - C35H27BrN4O3. Following Lipinski's Rule of Five, CAS 1007459-94-0 - C35H27BrN4O3 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CAS 1007459-94-0 - C35H27BrN4O3 is 1007459-94-0.
The molecular formula of CAS 1007459-94-0 - C35H27BrN4O3 is C35H27BrN4O3.
The molecular weight of CAS 1007459-94-0 - C35H27BrN4O3 is 630.12665 g/mol.
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