TL;DR: Resorcinol, 4-((bis(2-chloropropyl)amino)methyl)-6-chloro- (CAS 73855-51-3) is a chemical compound with molecular formula C13H18Cl3NO2 and molecular weight 325.0403 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[bis(2-chloropropyl)amino]methyl]-6-chlorobenzene-1,3-diol
Also Known As: NCIOpen2_009057, 4-((Bis(2-chloropropyl)amino)methyl)-6-chlororesorcinol, 6-Chloro-4-[[bis amino]methyl]resorcinol, Resorcinol, 4-((bis(2-chloropropyl)amino)methyl)-6-chloro-, 4-[[Bis(2-chloropropyl)amino]methyl]-6-chlororesorcinol
| Molecular Formula | C13H18Cl3NO2 |
| Molecular Weight | 325.0403 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.0403 Da |
| Heavy Atoms | 19 |
| Complexity | 260.0 |
| SMILES | CC(CN(CC1=CC(=C(C=C1O)O)Cl)CC(C)Cl)Cl |
| InChIKey | ZUFJAUDVFHWSNC-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Resorcinol, 4-((bis(2-chloropropyl)amino)methyl)-6-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, Resorcinol, 4-((bis(2-chloropropyl)amino)methyl)-6-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Resorcinol, 4-((bis(2-chloropropyl)amino)methyl)-6-chloro- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Resorcinol, 4-((bis(2-chloropropyl)amino)methyl)-6-chloro- is 73855-51-3.
The molecular formula of Resorcinol, 4-((bis(2-chloropropyl)amino)methyl)-6-chloro- is C13H18Cl3NO2.
The molecular weight of Resorcinol, 4-((bis(2-chloropropyl)amino)methyl)-6-chloro- is 325.0403 g/mol.
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