5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone
TL;DR: 5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone (CAS 141917-53-5) is a chemical compound with molecular formula C13H14Cl2N2O3 and molecular weight 316.03815 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dichloro-3-imidazol-1-yl-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one
Also Known As: 5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone, 2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxy-5-(prop-2-en-1-yl)cyclopent-2-en-1-one, 2,5-dichloro-3-imidazol-1-yl-4,4-dimethoxy-5-prop-2-enyl-cyclopent-2-en-1-one, 2,5-dichloro-3-imidazol-1-yl-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one
Technical Specifications
| Molecular Formula | C13H14Cl2N2O3 |
| Molecular Weight | 316.03815 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.03815 Da |
| Heavy Atoms | 20 |
| Complexity | 463.0 |
| SMILES | COC1(C(=C(C(=O)C1(CC=C)Cl)Cl)N2C=CN=C2)OC |
| InChIKey | ZUVYSAOBMMEBIS-UHFFFAOYSA-N |
Chemical Property Profile of 5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone
Property Insights of 5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone. With a topological polar surface area (TPSA) of 53.4 Ų, 5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone?
The CAS number of 5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone is 141917-53-5.
What is the molecular formula of 5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone?
The molecular formula of 5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone is C13H14Cl2N2O3.
What is the molecular weight of 5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone?
The molecular weight of 5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone is 316.03815 g/mol.
Where can I buy 5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone?
You can request a quote for 5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone?
Yes, CoreyChem provides custom synthesis services for 5-allyl-2,5-dichloro-3-(1H-imidazol-1-yl)-4,4-dimethoxycyclopent-2-enone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.