TL;DR: Oxo(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)vanadium (CAS 13930-88-6) is a chemical compound with molecular formula C32H16N8OV and molecular weight 579.0887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,11,20,29,37,39-hexaza-38,40-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(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;oxovanadium(2+)
Also Known As: Tixocortol, Vanadyl phthalocyanine, Oxyvanadiumphthalocyanine, Vanadium(IV) oxide phthalocyanine, Vanadium, oxo[phthalocyaninato(2-)]-
| Molecular Formula | C32H16N8OV |
| Molecular Weight | 579.0887 g/mol |
| XLogP | 6.0061 |
| Topological Polar Surface Area (TPSA) | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 579.0887 Da |
| Heavy Atoms | 42 |
| Complexity | 711.0 |
| SMILES | C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.O=[V+2] |
| InChIKey | YRZZLAGRKZIJJI-UHFFFAOYSA-N |
The XLogP value of 6.0061 indicates that Oxo(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)vanadium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxo(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)vanadium. Following Lipinski's Rule of Five, Oxo(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)vanadium has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Oxo(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)vanadium is 13930-88-6.
The molecular formula of Oxo(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)vanadium is C32H16N8OV.
The molecular weight of Oxo(29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)vanadium is 579.0887 g/mol.
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