6-Astatomethyl-19-norcholest-5(10)-en-3-ol
TL;DR: 6-Astatomethyl-19-norcholest-5(10)-en-3-ol (CAS 101387-37-5) is a chemical compound with molecular formula C27H45AtO and molecular weight 596.33453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,6R,8S,9S,13R,14S,17R)-3-hydroxy-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-6-yl]methyl(211At)astatine-211
Also Known As: At-Ncl, 6-Astatomethyl-19-norcholest-5(10)-en-3-ol, {[3-Hydroxy-19-norcholest-5(10)-en-6-yl]methyl}(~211~At)astatine, {[3beta-Hydroxy-19-norcholest-5(10)-en-6beta-yl]methyl}(~211~At)astatine, [(3S,6R,8S,9S,13R,14S,17R)-3-hydroxy-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-6-yl]methyl(211At)astatine-211
Technical Specifications
| Molecular Formula | C27H45AtO |
| Molecular Weight | 596.33453 g/mol |
| XLogP | 7.3364 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 596.33453 Da |
| Heavy Atoms | 29 |
| Complexity | 610.0 |
| 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)C[211At])C |
| InChIKey | HJAXHGKQQWJCLH-LSBLOZSASA-N |
Chemical Property Profile of 6-Astatomethyl-19-norcholest-5(10)-en-3-ol
Property Insights of 6-Astatomethyl-19-norcholest-5(10)-en-3-ol
The XLogP value of 7.3364 indicates that 6-Astatomethyl-19-norcholest-5(10)-en-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-Astatomethyl-19-norcholest-5(10)-en-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Astatomethyl-19-norcholest-5(10)-en-3-ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6-Astatomethyl-19-norcholest-5(10)-en-3-ol?
The CAS number of 6-Astatomethyl-19-norcholest-5(10)-en-3-ol is 101387-37-5.
What is the molecular formula of 6-Astatomethyl-19-norcholest-5(10)-en-3-ol?
The molecular formula of 6-Astatomethyl-19-norcholest-5(10)-en-3-ol is C27H45AtO.
What is the molecular weight of 6-Astatomethyl-19-norcholest-5(10)-en-3-ol?
The molecular weight of 6-Astatomethyl-19-norcholest-5(10)-en-3-ol is 596.33453 g/mol.
Where can I buy 6-Astatomethyl-19-norcholest-5(10)-en-3-ol?
You can request a quote for 6-Astatomethyl-19-norcholest-5(10)-en-3-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Astatomethyl-19-norcholest-5(10)-en-3-ol?
Yes, CoreyChem provides custom synthesis services for 6-Astatomethyl-19-norcholest-5(10)-en-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.