TL;DR: [1,1'-Biphenyl]-4-carbonyl chloride, 4'-pentyl- (CAS 59748-37-7) is a chemical compound with molecular formula C18H19ClO and molecular weight 286.11246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-pentylphenyl)benzoyl chloride
Also Known As: 4-(4-pentylphenyl)benzoyl chloride, p-Pentylbiphenyl-p'-carbonyl chloride, [1,1'-Biphenyl]-4-carbonyl chloride, 4'-pentyl-, p-Pentylbiphenyl-p'-carbonylchloride, 4'-Pentyl-biphenyl-4-carbonyl chloride
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H19ClO |
| Molecular Weight | 286.11246 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.11246 Da |
| Heavy Atoms | 20 |
| Complexity | 286.0 |
| SMILES | CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)Cl |
| InChIKey | PAXFBGZCRAEDBM-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that [1,1'-Biphenyl]-4-carbonyl chloride, 4'-pentyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, [1,1'-Biphenyl]-4-carbonyl chloride, 4'-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1,1'-Biphenyl]-4-carbonyl chloride, 4'-pentyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [1,1'-Biphenyl]-4-carbonyl chloride, 4'-pentyl- is 59748-37-7.
The molecular formula of [1,1'-Biphenyl]-4-carbonyl chloride, 4'-pentyl- is C18H19ClO.
The molecular weight of [1,1'-Biphenyl]-4-carbonyl chloride, 4'-pentyl- is 286.11246 g/mol.
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