TL;DR: CID 84255 (CAS 14205-42-6) is a chemical compound with molecular formula C8H15NO2 and molecular weight 157.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(dimethylamino)but-2-enoate
Also Known As: Ethyl 3-(dimethylamino)-2-butenoate, ethyl 3-(dimethylamino)but-2-enoate, ethyl 3-dimethylaminobut-2-enoate, 3-Dimethylaminocrotonsaeure-ethylester
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H15NO2 |
| Molecular Weight | 157.11028 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 157.11028 Da |
| Heavy Atoms | 11 |
| Complexity | 161.0 |
| SMILES | CCOC(=O)C=C(C)N(C)C |
| InChIKey | CTKXXMXGFDQHTI-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 84255. With a topological polar surface area (TPSA) of 29.5 Ų, CID 84255 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 84255 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of CID 84255 is 14205-42-6.
The molecular formula of CID 84255 is C8H15NO2.
The molecular weight of CID 84255 is 157.11028 g/mol.
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