TL;DR: 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3-(2-naphthalenylmethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- (CAS 167824-48-8) is a chemical compound with molecular formula C35H40N2O4 and molecular weight 552.2988 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-(5-hydroxypentyl)-3-(naphthalen-2-ylmethyl)-1,3-diazepan-2-one
Also Known As: 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3-(2-naphthalenylmethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-, (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(5-hydroxy-pentyl)-3-naphthalen-2-ylmethyl-[1,3]diazepan-2-one, (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-(5-hydroxypentyl)-3-(2-naphthylmethyl)-1,3-diazepan-2-one, (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-(5-hydroxypentyl)-3-(naphthalen-2-ylmethyl)-1,3-diazepan-2-one, (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(5-hydroxypentyl)-3-[(naphthalen-2-yl)methyl]-1,3-diazepan-2-one
| Molecular Formula | C35H40N2O4 |
| Molecular Weight | 552.2988 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 552.2988 Da |
| Heavy Atoms | 41 |
| Complexity | 782.0 |
| SMILES | C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CCCCCO)CC3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5)O)O |
| InChIKey | HFRPLIKYGJIHRM-WZJLIZBTSA-N |
The XLogP value of 5.4 indicates that 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3-(2-naphthalenylmethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3-(2-naphthalenylmethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-. Following Lipinski's Rule of Five, 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3-(2-naphthalenylmethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3-(2-naphthalenylmethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- is 167824-48-8.
The molecular formula of 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3-(2-naphthalenylmethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- is C35H40N2O4.
The molecular weight of 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-(5-hydroxypentyl)-3-(2-naphthalenylmethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- is 552.2988 g/mol.
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