TL;DR: 2-Cyclopenten-1-one, 3-amino-2,5-dichloro-4,4-dimethoxy-5-(2-propenyl)- (CAS 139219-57-1) is a chemical compound with molecular formula C10H13Cl2NO3 and molecular weight 265.02725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-2,5-dichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one
Also Known As: 2-Cyclopenten-1-one, 3-amino-2,5-dichloro-4,4-dimethoxy-5-(2-propenyl)-, 3-Amino-2,5-dichloro-4,4-dimethoxy-5-(2-propenyl)-2-cyclopenten-1-one, 3-amino-2,5-dichloro-4,4-dimethoxy-5-prop-2-enylcyclopent-2-en-1-one, 3-AMINO-2,5-DICHLORO-4,4-DIMETHOXY-5-PROP-2-ENYL-CYCLOPENT-2-EN-1-ONE, 2-Cyclopenten-1-one,3-amino-2,5-dichloro-4,4-dimethoxy-5-(2-propen-1-yl)-
| Molecular Formula | C10H13Cl2NO3 |
| Molecular Weight | 265.02725 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.02725 Da |
| Heavy Atoms | 16 |
| Complexity | 363.0 |
| SMILES | COC1(C(=C(C(=O)C1(CC=C)Cl)Cl)N)OC |
| InChIKey | YXLOQWDRMYYQLS-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclopenten-1-one, 3-amino-2,5-dichloro-4,4-dimethoxy-5-(2-propenyl)-. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyclopenten-1-one, 3-amino-2,5-dichloro-4,4-dimethoxy-5-(2-propenyl)-. Following Lipinski's Rule of Five, 2-Cyclopenten-1-one, 3-amino-2,5-dichloro-4,4-dimethoxy-5-(2-propenyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Cyclopenten-1-one, 3-amino-2,5-dichloro-4,4-dimethoxy-5-(2-propenyl)- is 139219-57-1.
The molecular formula of 2-Cyclopenten-1-one, 3-amino-2,5-dichloro-4,4-dimethoxy-5-(2-propenyl)- is C10H13Cl2NO3.
The molecular weight of 2-Cyclopenten-1-one, 3-amino-2,5-dichloro-4,4-dimethoxy-5-(2-propenyl)- is 265.02725 g/mol.
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