TL;DR: 1,6-Diamino-3,4-dihydroxyhexane (CAS 125078-78-6) is a chemical compound with molecular formula C(CN)C(C(CCN)O)O and molecular weight 148.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,6-diaminohexane-3,4-diol
Also Known As: 1,6-Dhxh, 1,6-diaminohexane-3,4-diol, 1,6-Diamino-3,4-dihydroxyhexane, 3,4-Dihydroxy-1,6-hexanediamine, bis-(aminoethyl) ethylene glycol
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C(CN)C(C(CCN)O)O |
| Molecular Weight | 148.12119 g/mol |
| XLogP | -2.2 |
| Topological Polar Surface Area (TPSA) | 92.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 148.12119 Da |
| Heavy Atoms | 10 |
| Complexity | 70.0 |
| SMILES | C(CN)C(C(CCN)O)O |
| InChIKey | XJAYIRLVNXHVIB-UHFFFAOYSA-N |
The XLogP value of -2.2 indicates that 1,6-Diamino-3,4-dihydroxyhexane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-Diamino-3,4-dihydroxyhexane. Following Lipinski's Rule of Five, 1,6-Diamino-3,4-dihydroxyhexane 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 1,6-Diamino-3,4-dihydroxyhexane is 125078-78-6.
The molecular formula of 1,6-Diamino-3,4-dihydroxyhexane is C(CN)C(C(CCN)O)O.
The molecular weight of 1,6-Diamino-3,4-dihydroxyhexane is 148.12119 g/mol.
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