TL;DR: 2-propenoic acid, 2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-, (2Z)- (CAS 119888-26-5) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-2-benzamido-3-[4-(dimethylamino)phenyl]prop-2-enoic acid
Also Known As: BAS 00284497, 2-(benzoylamino)-3-[4-(dimethylamino)phenyl]acrylic acid, (Z)-2-benzamido-3-(4-dimethylaminophenyl)prop-2-enoic acid, 2-propenoic acid, 2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-, (2Z)-, (2Z)-2-(BENZOYLAMINO)-3-[4-(DIMETHYLAMINO)PHENYL]ACRYLIC ACID
| Molecular Formula | C18H18N2O3 |
| Molecular Weight | 310.13174 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.13174 Da |
| Heavy Atoms | 23 |
| Complexity | 445.0 |
| SMILES | CN(C)C1=CC=C(C=C1)/C=C(/C(=O)O)\NC(=O)C2=CC=CC=C2 |
| InChIKey | LHCIVCRKLRBKES-VBKFSLOCSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-propenoic acid, 2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-, (2Z)-. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-propenoic acid, 2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-, (2Z)-. Following Lipinski's Rule of Five, 2-propenoic acid, 2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-, (2Z)- has 2 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-propenoic acid, 2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-, (2Z)- is 119888-26-5.
The molecular formula of 2-propenoic acid, 2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-, (2Z)- is C18H18N2O3.
The molecular weight of 2-propenoic acid, 2-(benzoylamino)-3-[4-(dimethylamino)phenyl]-, (2Z)- is 310.13174 g/mol.
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