TL;DR: chloroaluminum phthalocyanine (CAS 14154-42-8) is a chemical compound with molecular formula C32H16AlClN8 and molecular weight 574.10016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
aluminum;2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;chloride
Also Known As: chloroaluminum phthalocyanine, Porphyrin, AlPc, AlPCCI, aluminum [?]
| Molecular Formula | C32H16AlClN8 |
| Molecular Weight | 574.10016 g/mol |
| XLogP | 2.7506 |
| Topological Polar Surface Area (TPSA) | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 574.10016 Da |
| Heavy Atoms | 42 |
| Complexity | 709.0 |
| SMILES | C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2[N-]3.[Al+3].[Cl-] |
| InChIKey | LBGCRGLFTKVXDZ-UHFFFAOYSA-M |
The XLogP value of 2.7506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for chloroaluminum phthalocyanine. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for chloroaluminum phthalocyanine. Following Lipinski's Rule of Five, chloroaluminum phthalocyanine has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of chloroaluminum phthalocyanine is 14154-42-8.
The molecular formula of chloroaluminum phthalocyanine is C32H16AlClN8.
The molecular weight of chloroaluminum phthalocyanine is 574.10016 g/mol.
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