TL;DR: CR 734 (CAS 57227-50-6) is a chemical compound with molecular formula C28H39N3O7 and molecular weight 529.2788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-(diethylamino)-3-[4-[2-(diethylamino)ethoxy]phenyl]-1-oxopropan-2-yl]benzamide;oxalic acid
Also Known As: CR 734, O-(2-Diethylaminoethyl)-N-benzoyl-DL-tyrosyl-diethylamide oxalate, (+-)-alpha-(Benzoylamino)-N,N-diethyl-4-(2-(diethylamino)ethoxy)hydrocinnamamide oxalate, Hydrocinnamamide, alpha-(benzoylamino)-N,N-diethyl-4-(2-(diethylamino)ethoxy)-, oxalate, (+-)-, N-[1-(diethylamino)-3-[4-(2-diethylaminoethyloxy)phenyl]-1-oxopropan-2-yl]benzamide; oxalic acid
| Molecular Formula | C28H39N3O7 |
| Molecular Weight | 529.2788 g/mol |
| XLogP | 2.77 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 529.2788 Da |
| Heavy Atoms | 38 |
| Complexity | 606.0 |
| SMILES | CCN(CC)CCOC1=CC=C(C=C1)CC(C(=O)N(CC)CC)NC(=O)C2=CC=CC=C2.C(=O)(C(=O)O)O |
| InChIKey | HZXXLPBSHKUWHV-UHFFFAOYSA-N |
The XLogP value of 2.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CR 734. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CR 734. Following Lipinski's Rule of Five, CR 734 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CR 734 is 57227-50-6.
The molecular formula of CR 734 is C28H39N3O7.
The molecular weight of CR 734 is 529.2788 g/mol.
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