TL;DR: NC-758 Free base (CAS 125564-12-7) is a chemical compound with molecular formula C28H44N2O2 and molecular weight 440.34027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-5-(diethylamino)-1-[4-[(E)-5-(diethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethylpent-1-en-3-one
Also Known As: NC-758 Free base, 1-Penten-3-one, 1,1'-(1,4-phenylene)bis(5-(diethylamino)-4,4-dimethyl-, (E,E)-, 1-Penten-3-one, 1,1'-(1,4-phenylene)bis[5-(diethylamino)- 4, 4-dimethyl-, dihydrobromide, (E)-5-(diethylamino)-1-[4-[(E)-5-(diethylamino)-4,4-dimethyl-3-oxo-pent-1-enyl]phenyl]-4,4-dimethyl-pent-1-en-3-one, (E)-5-(diethylamino)-1-[4-[(E)-5-(diethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethylpent-1-en-3-one
| Molecular Formula | C28H44N2O2 |
| Molecular Weight | 440.34027 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 440.34027 Da |
| Heavy Atoms | 32 |
| Complexity | 576.0 |
| SMILES | CCN(CC(C(=O)/C=C/C1=CC=C(C=C1)/C=C/C(=O)C(CN(CC)CC)(C)C)(C)C)CC |
| InChIKey | RHKBXWCHOOPPSM-XPWSMXQVSA-N |
The XLogP value of 5.4 indicates that NC-758 Free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, NC-758 Free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NC-758 Free base has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of NC-758 Free base is 125564-12-7.
The molecular formula of NC-758 Free base is C28H44N2O2.
The molecular weight of NC-758 Free base is 440.34027 g/mol.
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