3-Buten-2-one, 4-(3-iodophenyl)-
TL;DR: 3-Buten-2-one, 4-(3-iodophenyl)- (CAS 1245286-78-5) is a chemical compound with molecular formula C10H9IO and molecular weight 271.96982 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-(3-iodophenyl)but-3-en-2-one
Also Known As: m-Iodobenzalacetone, 3-Buten-2-one, 4-(3-iodophenyl)-, (E)-4-(3-iodophenyl)but-3-en-2-one
Technical Specifications
| Molecular Formula | C10H9IO |
| Molecular Weight | 271.96982 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.96982 Da |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
| SMILES | CC(=O)/C=C/C1=CC(=CC=C1)I |
| InChIKey | RGBCUACNFYSDCG-AATRIKPKSA-N |
Chemical Property Profile of 3-Buten-2-one, 4-(3-iodophenyl)-
Property Insights of 3-Buten-2-one, 4-(3-iodophenyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 4-(3-iodophenyl)-. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Buten-2-one, 4-(3-iodophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-(3-iodophenyl)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Buten-2-one, 4-(3-iodophenyl)-?
The CAS number of 3-Buten-2-one, 4-(3-iodophenyl)- is 1245286-78-5.
What is the molecular formula of 3-Buten-2-one, 4-(3-iodophenyl)-?
The molecular formula of 3-Buten-2-one, 4-(3-iodophenyl)- is C10H9IO.
What is the molecular weight of 3-Buten-2-one, 4-(3-iodophenyl)-?
The molecular weight of 3-Buten-2-one, 4-(3-iodophenyl)- is 271.96982 g/mol.
Where can I buy 3-Buten-2-one, 4-(3-iodophenyl)-?
You can request a quote for 3-Buten-2-one, 4-(3-iodophenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Buten-2-one, 4-(3-iodophenyl)-?
Yes, CoreyChem provides custom synthesis services for 3-Buten-2-one, 4-(3-iodophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.