TL;DR: DMPC Cyclic Urea 94 (CAS 167826-30-4) is a chemical compound with molecular formula C33H50N6O5 and molecular weight 610.3843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[5-(methylcarbamoylamino)pentyl]-2-oxo-1,3-diazepan-1-yl]pentyl]-3-methylurea
Also Known As: DMPC Cyclic Urea 94, Urea, N-(5-((4R,5S,6S,7R)-hexahydro-5,6-dihydroxy-3-(5-(((methylamino)carbonyl)amino)pentyl)-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepin-1-yl)pentyl)-N'-methyl-, 1-[5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[5-(methylcarbamoylamino)pentyl]-2-oxo-1,3-diazepan-1-yl]pentyl]-3-methyl-urea, 1-[5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[5-(methylcarbamoylamino)pentyl]-2-oxo-1,3-diazepan-1-yl]pentyl]-3-methylurea, 1-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{5-[(methylcarbamoyl)amino]pentyl}-2-oxo-1,3-diazepan-1-yl]pentyl}-3-methylurea
| Molecular Formula | C33H50N6O5 |
| Molecular Weight | 610.3843 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 610.3843 Da |
| Heavy Atoms | 44 |
| Complexity | 785.0 |
| SMILES | CNC(=O)NCCCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCCCCNC(=O)NC)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3 |
| InChIKey | OYNFRQIQIBKTHH-XAZDILKDSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DMPC Cyclic Urea 94. The TPSA of 146.0 Ų indicates high polarity, suggesting DMPC Cyclic Urea 94 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DMPC Cyclic Urea 94 has 6 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of DMPC Cyclic Urea 94 is 167826-30-4.
The molecular formula of DMPC Cyclic Urea 94 is C33H50N6O5.
The molecular weight of DMPC Cyclic Urea 94 is 610.3843 g/mol.
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