TL;DR: (2S,3S)-1,4-Bis(4-(3-iodo-4-methoxy-phenyl)butylamino)butane-2,3-diol (CAS 165467-01-6) is a chemical compound with molecular formula C26H38I2N2O4 and molecular weight 696.0921 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S)-1,4-bis[4-(3-iodo-4-methoxyphenyl)butylamino]butane-2,3-diol
Also Known As: (2S,3S)-1,4-Bis(4-(3-iodo-4-methoxy-phenyl)butylamino)butane-2,3-diol, (2S,3S)-1,4-bis[4-(3-iodo-4-methoxy-phenyl)butylamino]butane-2,3-diol, 1,4-bis((4-(3-iodo-4-methoxyphenyl)butyl)amino)butane-2,3-diol, 1,4-Bis{[4-(3-iodo-4-methoxyphenyl)butyl]amino}butane-2,3-diol, (2S,3S)-1,4-Bis[4-(3-iodo-4-methoxyphenyl)butylamino]-2,3-butanediol
| Molecular Formula | C26H38I2N2O4 |
| Molecular Weight | 696.0921 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 696.0921 Da |
| Heavy Atoms | 34 |
| Complexity | 475.0 |
| SMILES | COC1=C(C=C(C=C1)CCCCNC[C@@H]([C@H](CNCCCCC2=CC(=C(C=C2)OC)I)O)O)I |
| InChIKey | NEDRTSOKSRZGBU-ZEQRLZLVSA-N |
The XLogP value of 4.7 indicates that (2S,3S)-1,4-Bis(4-(3-iodo-4-methoxy-phenyl)butylamino)butane-2,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3S)-1,4-Bis(4-(3-iodo-4-methoxy-phenyl)butylamino)butane-2,3-diol. Following Lipinski's Rule of Five, (2S,3S)-1,4-Bis(4-(3-iodo-4-methoxy-phenyl)butylamino)butane-2,3-diol has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (2S,3S)-1,4-Bis(4-(3-iodo-4-methoxy-phenyl)butylamino)butane-2,3-diol is 165467-01-6.
The molecular formula of (2S,3S)-1,4-Bis(4-(3-iodo-4-methoxy-phenyl)butylamino)butane-2,3-diol is C26H38I2N2O4.
The molecular weight of (2S,3S)-1,4-Bis(4-(3-iodo-4-methoxy-phenyl)butylamino)butane-2,3-diol is 696.0921 g/mol.
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