TL;DR: Benzaldehyde, ethenyl- (CAS 43145-54-6) is a chemical compound with molecular formula C27H24O3 and molecular weight 396.17255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethenylbenzaldehyde;3-ethenylbenzaldehyde;4-ethenylbenzaldehyde
Also Known As: Benzaldehyde, ethenyl-, ETHENYLBENZALDEHYDE, 2-ethenylbenzaldehyde; 3-ethenylbenzaldehyde; 4-ethenylbenzaldehyde
| Molecular Formula | C27H24O3 |
| Molecular Weight | 396.17255 g/mol |
| XLogP | 6.43 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.17255 Da |
| Heavy Atoms | 30 |
| Complexity | 378.0 |
| SMILES | C=CC1=CC=C(C=C1)C=O.C=CC1=CC(=CC=C1)C=O.C=CC1=CC=CC=C1C=O |
| InChIKey | JRTGEPBBXNQYFA-UHFFFAOYSA-N |
The XLogP value of 6.43 indicates that Benzaldehyde, ethenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, Benzaldehyde, ethenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzaldehyde, ethenyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzaldehyde, ethenyl- is 43145-54-6.
The molecular formula of Benzaldehyde, ethenyl- is C27H24O3.
The molecular weight of Benzaldehyde, ethenyl- is 396.17255 g/mol.
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