TL;DR: DMPC Cyclic Urea 97 (CAS 167826-31-5) is a chemical compound with molecular formula C33H48N4O5 and molecular weight 580.3625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[5-[(4R,5S,6S,7R)-3-(5-acetamidopentyl)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]pentyl]acetamide
Also Known As: DMPC Cyclic Urea 97, N-(5-((4R,5S,6S,7R)-3-(5-Acetylamino-pentyl)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-perhydro-1,3-diazepin-1-yl)-pentyl)-acetamide, N-[5-[(4R,5S,6S,7R)-3-(5-acetamidopentyl)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]pentyl]acetamide, N,N'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]di(pentane-5,1-diyl)}diacetamide, N-{5-[(4R,5S,6S,7R)-3-(5-Acetylamino-pentyl)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-perhydro-1,3-diazepin-1-yl]-pentyl}-acetamide
| Molecular Formula | C33H48N4O5 |
| Molecular Weight | 580.3625 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 580.3625 Da |
| Heavy Atoms | 42 |
| Complexity | 750.0 |
| SMILES | CC(=O)NCCCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCCCCNC(=O)C)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3 |
| InChIKey | CFFYNIWNUKREJO-ZRTHHSRSSA-N |
The XLogP value of 3.1 indicates that DMPC Cyclic Urea 97 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DMPC Cyclic Urea 97. Following Lipinski's Rule of Five, DMPC Cyclic Urea 97 has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of DMPC Cyclic Urea 97 is 167826-31-5.
The molecular formula of DMPC Cyclic Urea 97 is C33H48N4O5.
The molecular weight of DMPC Cyclic Urea 97 is 580.3625 g/mol.
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