TL;DR: RefChem:327254 (CAS 85826-21-7) is a chemical compound with molecular formula C30H39N5O7 and molecular weight 581.285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(diethylamino)ethyl 4-[[4-[4-[2-(diethylamino)ethoxycarbonyl]phenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
Also Known As: Benzoic acid, 4,4'-((6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(2-(diethylamino)ethyl) ester, 2-Diethylaminoethyl4-[[4-[4-(2-diethylaminoethyloxycarbonyl)phenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate, Bis[2-(diethylamino)ethyl] 4,4'-[(6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy)]dibenzoate, 2-diethylaminoethyl 4-[[4-[4-(2-diethylaminoethyloxycarbonyl)phenoxy]-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate, BENZOIC ACID, 4,4'-((6-METHOXY-1,3,5-TRIAZINE-2,4-DIYL)BIS(OXY))BIS-, BIS(2-(DIE
| Molecular Formula | C30H39N5O7 |
| Molecular Weight | 581.285 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 19 |
| Exact Mass | 581.285 Da |
| Heavy Atoms | 42 |
| Complexity | 709.0 |
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)OC)OC3=CC=C(C=C3)C(=O)OCCN(CC)CC |
| InChIKey | IBVJJXNUVGRLAB-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that RefChem:327254 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327254. Following Lipinski's Rule of Five, RefChem:327254 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:327254 is 85826-21-7.
The molecular formula of RefChem:327254 is C30H39N5O7.
The molecular weight of RefChem:327254 is 581.285 g/mol.
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