TL;DR: Propanidid (CAS 1421-14-3) is a chemical compound with molecular formula C18H27NO5 and molecular weight 337.18893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetate
Also Known As: Propanidid, Sombrevin, Epontol, Propanidide, Propantan
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H27NO5 |
| Molecular Weight | 337.18893 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 337.18893 Da |
| Heavy Atoms | 24 |
| Complexity | 384.0 |
| SMILES | CCCOC(=O)CC1=CC(=C(C=C1)OCC(=O)N(CC)CC)OC |
| InChIKey | KEJXLQUPYHWCNM-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanidid. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanidid. Following Lipinski's Rule of Five, Propanidid has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Propanidid is 1421-14-3.
The molecular formula of Propanidid is C18H27NO5.
The molecular weight of Propanidid is 337.18893 g/mol.
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