TL;DR: 4-Amino-4-(3-hydroxypropyl)heptane-1,7-diol (CAS 116747-79-6) is a chemical compound with molecular formula C10H23NO3 and molecular weight 205.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-4-(3-hydroxypropyl)heptane-1,7-diol
Also Known As: Bis-homotris, bishomotris, 4-amino-4-(3-hydroxypropyl)heptane-1,7-diol, 4-Amino-4-(3-hydroxypropyl)-1,7-heptanediol, J1.675.741A
| Molecular Formula | C10H23NO3 |
| Molecular Weight | 205.1678 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 86.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 205.1678 Da |
| Heavy Atoms | 14 |
| Complexity | 109.0 |
| SMILES | C(CC(CCCO)(CCCO)N)CO |
| InChIKey | HACQKMWYOKGLET-UHFFFAOYSA-N |
The XLogP value of -0.7 indicates that 4-Amino-4-(3-hydroxypropyl)heptane-1,7-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-4-(3-hydroxypropyl)heptane-1,7-diol. Following Lipinski's Rule of Five, 4-Amino-4-(3-hydroxypropyl)heptane-1,7-diol has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Amino-4-(3-hydroxypropyl)heptane-1,7-diol is 116747-79-6.
The molecular formula of 4-Amino-4-(3-hydroxypropyl)heptane-1,7-diol is C10H23NO3.
The molecular weight of 4-Amino-4-(3-hydroxypropyl)heptane-1,7-diol is 205.1678 g/mol.
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