TL;DR: 3,7-Dpptu (CAS 139392-04-4) is a chemical compound with molecular formula C20H33N5O and molecular weight 359.26852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(aminomethyl)-5-[3-(7,10-dimethyl-3,7,10-triazatricyclo[3.3.3.01,5]undecan-3-yl)propyl]-2-methylpyridin-3-ol
Also Known As: 3,7-Dpptu, 3,7-Dimethyl-10-(3-(4-aminomethyl-5-hydroxy-6-methyl-3-pyridyl)propyl)-3,7,10-triazatricyclo(3.3.3.0(1,5))undecane, 3-Pyridinol, 4-(aminomethyl)-5-(3-(dihydro-5,8-dimethyl-1H,4H-3a,6a-(methaniminomethano)pyrrolo(3,4-c)pyrrol-2(3H)-yl)propyl)-2-methyl-, 3-Pyridinol,4-(aminomethyl)-5-[3-(dihydro-5,8-dimethyl-1H,4H-3a,6a-(methaniminomethano)pyrrolo[3,4-c]pyrrol-2(3H)-yl)propyl]-2-methyl-(9CI), 3,7-dimethyl-10-(3-(4-aminomethyl-5-hydroxy-6-methyl-3-pyridyl)propyl)-3,7,10-triazatricyclo(3.3.3.0
| Molecular Formula | C20H33N5O |
| Molecular Weight | 359.26852 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 68.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.26852 Da |
| Heavy Atoms | 26 |
| Complexity | 476.0 |
| SMILES | CC1=NC=C(C(=C1O)CN)CCCN2CC34CN(CC3(C2)CN(C4)C)C |
| InChIKey | YRHYOTAXTMTZCA-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dpptu. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dpptu. Following Lipinski's Rule of Five, 3,7-Dpptu 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 3,7-Dpptu is 139392-04-4.
The molecular formula of 3,7-Dpptu is C20H33N5O.
The molecular weight of 3,7-Dpptu is 359.26852 g/mol.
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