TL;DR: DMPC Cyclic Urea 78 (CAS 167824-62-6) is a chemical compound with molecular formula C31H46N2O5 and molecular weight 526.3407 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-methoxypentyl)-1,3-diazepan-2-one
Also Known As: DMPC Cyclic Urea 78, 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(5-methoxypentyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-, (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-methoxypentyl)-1,3-diazepan-2-one
| Molecular Formula | C31H46N2O5 |
| Molecular Weight | 526.3407 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 526.3407 Da |
| Heavy Atoms | 38 |
| Complexity | 586.0 |
| SMILES | COCCCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCCCCOC)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3 |
| InChIKey | HIMYXPUMLAHVRJ-XAZDILKDSA-N |
The XLogP value of 4.2 indicates that DMPC Cyclic Urea 78 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for DMPC Cyclic Urea 78. Following Lipinski's Rule of Five, DMPC Cyclic Urea 78 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of DMPC Cyclic Urea 78 is 167824-62-6.
The molecular formula of DMPC Cyclic Urea 78 is C31H46N2O5.
The molecular weight of DMPC Cyclic Urea 78 is 526.3407 g/mol.
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