TL;DR: BIM-0036219.P001 (CAS 312516-03-3) is a chemical compound with molecular formula C18H19NO5 and molecular weight 329.1263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (4Z)-4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate
Also Known As: BIM-0036219.P001, (Z)-methyl 4-(4-(allyloxy)-3-methoxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate, methyl (4Z)-4-[3-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, METHYL (4Z)-4-{[3-METHOXY-4-(PROP-2-EN-1-YLOXY)PHENYL]METHYLIDENE}-2-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE
| Molecular Formula | C18H19NO5 |
| Molecular Weight | 329.1263 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.1263 Da |
| Heavy Atoms | 24 |
| Complexity | 578.0 |
| SMILES | CC1=C(/C(=C/C2=CC(=C(C=C2)OCC=C)OC)/C(=O)N1)C(=O)OC |
| InChIKey | VJMIPTYQOZEWEC-LCYFTJDESA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0036219.P001. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0036219.P001. Following Lipinski's Rule of Five, BIM-0036219.P001 has 1 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 BIM-0036219.P001 is 312516-03-3.
The molecular formula of BIM-0036219.P001 is C18H19NO5.
The molecular weight of BIM-0036219.P001 is 329.1263 g/mol.
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