TL;DR: 4'-Acetyl-[1,1'-biphenyl]-4-sulfonyl chloride (CAS 144006-69-9) is a chemical compound with molecular formula C14H11ClO3S and molecular weight 294.01175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-acetylphenyl)benzenesulfonyl chloride
Also Known As: 4'-Acetyl-[1,1'-biphenyl]-4-sulfonyl chloride, 4-(4-acetylphenyl)benzenesulfonyl Chloride, 4'-acetylbiphenyl-4-sulfonyl chloride, 4'-Acetyl-biphenyl-4-sulfonyl chloride, 4'-Acetyl-[1,1'-biphenyl]-4-sulfonylchloride
| Molecular Formula | C14H11ClO3S |
| Molecular Weight | 294.01175 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.01175 Da |
| Heavy Atoms | 19 |
| Complexity | 410.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)Cl |
| InChIKey | RQXCOVHVSGLWBA-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 4'-Acetyl-[1,1'-biphenyl]-4-sulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, 4'-Acetyl-[1,1'-biphenyl]-4-sulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Acetyl-[1,1'-biphenyl]-4-sulfonyl chloride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4'-Acetyl-[1,1'-biphenyl]-4-sulfonyl chloride is 144006-69-9.
The molecular formula of 4'-Acetyl-[1,1'-biphenyl]-4-sulfonyl chloride is C14H11ClO3S.
The molecular weight of 4'-Acetyl-[1,1'-biphenyl]-4-sulfonyl chloride is 294.01175 g/mol.
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