TL;DR: 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(morpholinomethyl)phenoxy)- (CAS 102612-77-1) is a chemical compound with molecular formula C18H27NO5 and molecular weight 337.18893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-methoxy-6-(morpholin-4-ylmethyl)-4-prop-2-enylphenoxy]propane-1,3-diol
Also Known As: 3-(4-Allyl-2-methoxy-6-(morpholinomethyl)phenoxy)-1,3-propanediol, 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(morpholinomethyl)phenoxy)-, Estere alpha-glicerico del 2-metossi-4-allil-6-morfolinometilfenolo, Estere alpha-glicerico del 2-metossi-4-allil-6-morfolinometilfenolo [Italian], 1-{2-Methoxy-6-[(morpholin-4-yl)methyl]-4-(prop-2-en-1-yl)phenoxy}propane-1,3-diol
| Molecular Formula | C18H27NO5 |
| Molecular Weight | 337.18893 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 337.18893 Da |
| Heavy Atoms | 24 |
| Complexity | 361.0 |
| SMILES | COC1=CC(=CC(=C1OC(CCO)O)CN2CCOCC2)CC=C |
| InChIKey | YSPHNNGPUITKLP-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(morpholinomethyl)phenoxy)-. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(morpholinomethyl)phenoxy)-. Following Lipinski's Rule of Five, 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(morpholinomethyl)phenoxy)- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(morpholinomethyl)phenoxy)- is 102612-77-1.
The molecular formula of 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(morpholinomethyl)phenoxy)- is C18H27NO5.
The molecular weight of 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(morpholinomethyl)phenoxy)- is 337.18893 g/mol.
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