TL;DR: C.I.Pigment red 88 (CAS 14295-43-3) is a chemical compound with molecular formula C16H4Cl4O2S2 and molecular weight 431.84067 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,7-dichloro-2-(4,7-dichloro-3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
Also Known As: C.I.Pigment red 88, C.I. Pigment Red 88, (2z)-4,7-dichloro-2-(4,7-dichloro-3-oxo-1-benzothiophen-2-yl, 4,7-dichloro-2-(4,7-dichloro-3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one, 4,7-Dichloro-2-(4,7-dichloro-3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one
| Molecular Formula | C16H4Cl4O2S2 |
| Molecular Weight | 431.84067 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 433.83774 Da |
| Heavy Atoms | 24 |
| Complexity | 573.0 |
| SMILES | C1=CC(=C2C(=C1Cl)C(=O)C(=C3C(=O)C4=C(C=CC(=C4S3)Cl)Cl)S2)Cl |
| InChIKey | KZFMOINJHMONLW-UHFFFAOYSA-N |
The XLogP value of 6.6 indicates that C.I.Pigment red 88 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for C.I.Pigment red 88. Following Lipinski's Rule of Five, C.I.Pigment red 88 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of C.I.Pigment red 88 is 14295-43-3.
The molecular formula of C.I.Pigment red 88 is C16H4Cl4O2S2.
The molecular weight of C.I.Pigment red 88 is 431.84067 g/mol.
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