TL;DR: Aza. deriv. (CAS 16344-04-0) is a chemical compound with molecular formula C40H50N6O5 and molecular weight 694.3843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S,3S)-4-[benzyl-[[(2S)-2-[[(6-ethyl-2-pyridinyl)methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Also Known As: Aza. deriv., (2R)-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one, (2r)-2-(3-hydroxyphenyl)-2,3-dihydro-4h-chromen-4-one, 5S-(Benzyloxycarbonyl)amino-2-N-((N-methyl-N-((6-ethyl-2-pyridinyl)methyl)amino)carbonyl)-L-valinylamino-4S-hydroxy-1,6-diphenyl-2-azahexane, benzyl[(1s,2s)-1-benzyl-3-{1-benzyl-2-[(2s)-2-({[(6-ethylpyridin-2-yl)methyl](methyl)carbamoyl}amino)-3-methylbutanoyl]hydrazino}-2-hydroxypropyl]carbamate(non-preferred name)
| Molecular Formula | C40H50N6O5 |
| Molecular Weight | 694.3843 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 694.3843 Da |
| Heavy Atoms | 51 |
| Complexity | 1030.0 |
| SMILES | CCC1=NC(=CC=C1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)NN(CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O |
| InChIKey | INNFPTNOCXSLDJ-FSEITFBQSA-N |
The XLogP value of 5.9 indicates that Aza. deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aza. deriv.. Following Lipinski's Rule of Five, Aza. deriv. has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Aza. deriv. is 16344-04-0.
The molecular formula of Aza. deriv. is C40H50N6O5.
The molecular weight of Aza. deriv. is 694.3843 g/mol.
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