1-Benzo(e)pyren-4-ylethanone
TL;DR: 1-Benzo(e)pyren-4-ylethanone (CAS 129749-38-8) is a chemical compound with molecular formula C22H14O and molecular weight 294.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzo[e]pyren-4-ylethanone
Also Known As: 1-benzo[e]pyren-4-ylethanone, 1-(benzo[e]pyren-4-yl)ethanone, 1-Benzo(e)pyren-4-ylethanone, 1-benzo[e]pyren-4-ylethanon, KST-1B0135
Technical Specifications
| Molecular Formula | C22H14O |
| Molecular Weight | 294.10446 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.10446 Da |
| Heavy Atoms | 23 |
| Complexity | 482.0 |
| SMILES | CC(=O)C1=CC2=C3C(=CC=C2)C4=CC=CC=C4C5=C3C1=CC=C5 |
| InChIKey | HIHZAFZPEKOQLW-UHFFFAOYSA-N |
Chemical Property Profile of 1-Benzo(e)pyren-4-ylethanone
Property Insights of 1-Benzo(e)pyren-4-ylethanone
The XLogP value of 6.0 indicates that 1-Benzo(e)pyren-4-ylethanone 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-Benzo(e)pyren-4-ylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzo(e)pyren-4-ylethanone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-Benzo(e)pyren-4-ylethanone?
The CAS number of 1-Benzo(e)pyren-4-ylethanone is 129749-38-8.
What is the molecular formula of 1-Benzo(e)pyren-4-ylethanone?
The molecular formula of 1-Benzo(e)pyren-4-ylethanone is C22H14O.
What is the molecular weight of 1-Benzo(e)pyren-4-ylethanone?
The molecular weight of 1-Benzo(e)pyren-4-ylethanone is 294.10446 g/mol.
Where can I buy 1-Benzo(e)pyren-4-ylethanone?
You can request a quote for 1-Benzo(e)pyren-4-ylethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Benzo(e)pyren-4-ylethanone?
Yes, CoreyChem provides custom synthesis services for 1-Benzo(e)pyren-4-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.