TL;DR: CID 110520 (CAS 778523-51-6) is a chemical compound with molecular formula C19H6Cl4F11NO6S and molecular weight 724.8494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyloxy)phenyl]carbamoyl]benzoic acid
Also Known As: 2,3,4,5-Tetrachloro-6-[(3-{[(undecafluoropentyl)sulfonyl]oxy}phenyl)carbamoyl]benzoic acid, 2,3,4,5-Tetrachloro-6-({3-[(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonyl)oxy]phenyl}carbamoyl)benzoic acid, 2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyloxy)phenyl]carbamoyl]benzoic acid
| Molecular Formula | C19H6Cl4F11NO6S |
| Molecular Weight | 724.8494 g/mol |
| XLogP | 8.2 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 726.8465 Da |
| Heavy Atoms | 42 |
| Complexity | 1140.0 |
| SMILES | C1=CC(=CC(=C1)OS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O |
| InChIKey | RBHRIWMPJOQTPX-UHFFFAOYSA-N |
The XLogP value of 8.2 indicates that CID 110520 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 110520. Following Lipinski's Rule of Five, CID 110520 has 2 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CID 110520 is 778523-51-6.
The molecular formula of CID 110520 is C19H6Cl4F11NO6S.
The molecular weight of CID 110520 is 724.8494 g/mol.
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