TL;DR: (Z)-3-Hydroxypropane-1,2-diyl dioleate (CAS 2442-61-7) is a chemical compound with molecular formula C39H72O5 and molecular weight 620.53796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-hydroxy-2-octadec-9-enoyloxypropyl) octadec-9-enoate
Also Known As: 1,2-Dioleoyl-sn-glycerol, 1,2-Dioleoyl-rac-glycerol, KBio2_000013, KBio2_002581, KBio2_005149
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C39H72O5 |
| Molecular Weight | 620.53796 g/mol |
| XLogP | 14.3 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 36 |
| Exact Mass | 620.53796 Da |
| Heavy Atoms | 44 |
| Complexity | 671.0 |
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCC |
| InChIKey | AFSHUZFNMVJNKX-UHFFFAOYSA-N |
The XLogP value of 14.3 indicates that (Z)-3-Hydroxypropane-1,2-diyl dioleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-Hydroxypropane-1,2-diyl dioleate. Following Lipinski's Rule of Five, (Z)-3-Hydroxypropane-1,2-diyl dioleate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Z)-3-Hydroxypropane-1,2-diyl dioleate is 2442-61-7.
The molecular formula of (Z)-3-Hydroxypropane-1,2-diyl dioleate is C39H72O5.
The molecular weight of (Z)-3-Hydroxypropane-1,2-diyl dioleate is 620.53796 g/mol.
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