TL;DR: NGA55684FK (CAS 161914-56-3) is a chemical compound with molecular formula C31H32O4 and molecular weight 468.23007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(1Z,3Z)-4-carboxy-3-methyl-1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)buta-1,3-dien-2-yl]benzoic acid
Also Known As: 3-((1Z,2Z)-3-Carboxy-2-methyl-1-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)methylene)-2-propen-1-yl)benzoic acid, Benzoic acid, 3-((1Z,2Z)-3-carboxy-2-methyl-1-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)methylene)-2-propen-1-yl)-, 3-((1Z,3Z)-4-Carboxy-3-methyl-1-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydroanthracen-2-yl)buta-1,3-dien-2-yl)benzoic acid, NGA55684FK
| Molecular Formula | C31H32O4 |
| Molecular Weight | 468.23007 g/mol |
| XLogP | 8.9 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.23007 Da |
| Heavy Atoms | 35 |
| Complexity | 878.0 |
| SMILES | C/C(=C/C(=O)O)/C(=C/C1=CC2=CC3=C(C=C2C=C1)C(CCC3(C)C)(C)C)/C4=CC(=CC=C4)C(=O)O |
| InChIKey | MSCWLMXCFHMGMN-SHUXQVCQSA-N |
The XLogP value of 8.9 indicates that NGA55684FK is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for NGA55684FK. Following Lipinski's Rule of Five, NGA55684FK has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of NGA55684FK is 161914-56-3.
The molecular formula of NGA55684FK is C31H32O4.
The molecular weight of NGA55684FK is 468.23007 g/mol.
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