TL;DR: Ethyl 2-[[4-(dimethylaminodiazenyl)benzoyl]amino]-3-phenylpropanoate (CAS 102516-74-5) is a chemical compound with molecular formula C20H24N4O3 and molecular weight 368.18484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[4-(dimethylaminodiazenyl)benzoyl]amino]-3-phenylpropanoate
Also Known As: NCI60_017946, ethyl 2-[[4-(dimethylaminodiazenyl)benzoyl]amino]-3-phenylpropanoate, DL-N-(p-(3,3-Dimethyltriazeno)benzoyl)-3-phenyl-alanine ethyl ester, ALANINE, N-(p-(3,3-DIMETHYLTRIAZENO)BENZOYL)-3-PHENYL-, ETHYL ESTER, DL-, ETHYL 2-[(4-DIMETHYLAMINODIAZENYLBENZOYL)AMINO]-3-PHENYL-PROPANOATE
| Molecular Formula | C20H24N4O3 |
| Molecular Weight | 368.18484 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 368.18484 Da |
| Heavy Atoms | 27 |
| Complexity | 495.0 |
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N=NN(C)C |
| InChIKey | ZXMVESLLHSLTDG-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Ethyl 2-[[4-(dimethylaminodiazenyl)benzoyl]amino]-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[[4-(dimethylaminodiazenyl)benzoyl]amino]-3-phenylpropanoate. Following Lipinski's Rule of Five, Ethyl 2-[[4-(dimethylaminodiazenyl)benzoyl]amino]-3-phenylpropanoate has 1 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 Ethyl 2-[[4-(dimethylaminodiazenyl)benzoyl]amino]-3-phenylpropanoate is 102516-74-5.
The molecular formula of Ethyl 2-[[4-(dimethylaminodiazenyl)benzoyl]amino]-3-phenylpropanoate is C20H24N4O3.
The molecular weight of Ethyl 2-[[4-(dimethylaminodiazenyl)benzoyl]amino]-3-phenylpropanoate is 368.18484 g/mol.
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