TL;DR: dimethyl [(2E,4E)-1,5-bis(dimethylamino)penta-2,4-dien-1-ylidene]propanedioate (CAS 1164474-23-0) is a chemical compound with molecular formula C14H22N2O4 and molecular weight 282.15796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2-[(2E,4E)-1,5-bis(dimethylamino)penta-2,4-dienylidene]propanedioate
Also Known As: BAS 01276935, dimethyl [1,5-bis(dimethylamino)-2,4-pentadien-1-ylidene]malonate, 2-(1,5-Bis-dimethylamino-penta-2,4-dienylidene)-malonic acid dimethyl ester, dimethyl [(2E,4E)-1,5-bis(dimethylamino)penta-2,4-dien-1-ylidene]propanedioate, dimethyl 2-((2E,4E)-1,5-bis(dimethylamino)penta-2,4-dien-1-ylidene)malonate
| Molecular Formula | C14H22N2O4 |
| Molecular Weight | 282.15796 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 282.15796 Da |
| Heavy Atoms | 20 |
| Complexity | 416.0 |
| SMILES | CN(C)/C=C/C=C/C(=C(C(=O)OC)C(=O)OC)N(C)C |
| InChIKey | ITRXSEXAWFJLNA-FIFLTTCUSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl [(2E,4E)-1,5-bis(dimethylamino)penta-2,4-dien-1-ylidene]propanedioate. With a topological polar surface area (TPSA) of 59.1 Ų, dimethyl [(2E,4E)-1,5-bis(dimethylamino)penta-2,4-dien-1-ylidene]propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl [(2E,4E)-1,5-bis(dimethylamino)penta-2,4-dien-1-ylidene]propanedioate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of dimethyl [(2E,4E)-1,5-bis(dimethylamino)penta-2,4-dien-1-ylidene]propanedioate is 1164474-23-0.
The molecular formula of dimethyl [(2E,4E)-1,5-bis(dimethylamino)penta-2,4-dien-1-ylidene]propanedioate is C14H22N2O4.
The molecular weight of dimethyl [(2E,4E)-1,5-bis(dimethylamino)penta-2,4-dien-1-ylidene]propanedioate is 282.15796 g/mol.
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