TL;DR: 6-(2'-Iodo)ethyl-19-norcholest-5(10)-ene-3-ol (CAS 109628-17-3) is a chemical compound with molecular formula C28H47IO and molecular weight 530.2688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,6S,8S,9S,13R,14S,17R)-6-(2-(131I)iodoethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
Also Known As: 6-Ienco, 6-(2'-Iodo)ethyl-19-norcholest-5(10)-ene-3-ol, 6-(2/'-iodo)ethyl-19-norcholest-5(10)-ene-3-ol, 6-[2-(~131~I)Iodoethyl]-19-norcholest-5(10)-en-3-ol, 6beta-(131I)-(2'-Iodo)ethyl-19-norcholest-5(10)en-3beta-ol
| Molecular Formula | C28H47IO |
| Molecular Weight | 530.2688 g/mol |
| XLogP | 9.4 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.2688 Da |
| Heavy Atoms | 30 |
| Complexity | 624.0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=C3CC[C@@H](C4)O)CC[131I])C |
| InChIKey | MPBUQXGMQDVOIR-YSOOSTPMSA-N |
The XLogP value of 9.4 indicates that 6-(2'-Iodo)ethyl-19-norcholest-5(10)-ene-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 6-(2'-Iodo)ethyl-19-norcholest-5(10)-ene-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(2'-Iodo)ethyl-19-norcholest-5(10)-ene-3-ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6-(2'-Iodo)ethyl-19-norcholest-5(10)-ene-3-ol is 109628-17-3.
The molecular formula of 6-(2'-Iodo)ethyl-19-norcholest-5(10)-ene-3-ol is C28H47IO.
The molecular weight of 6-(2'-Iodo)ethyl-19-norcholest-5(10)-ene-3-ol is 530.2688 g/mol.
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