3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine
TL;DR: 3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine (CAS 118517-21-8) is a chemical compound with molecular formula C35H49ClN2O2 and molecular weight 564.34827 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1S,2R,5S,7R,9S,11S,12S,15R,16R)-5-chloro-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-azapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-8-yl]isoindole-1,3-dione
Also Known As: 3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine, 3BETA-CHLORO-5ALPHA-CHOLESTANO[5,6-B]-N-PHTHALIMIDOAZIRIDINE, 5alpha)-(3beta3-chloro-5-cholestano(5,6-b)-N-phthalimidoaziridine, 3-Chloro-5-cholestano(5,6-b)-N-phthalimidoaziridine, (3beta, 5alpha)-, 3-CHLORO-5-CHOLESTANO(5,6-B)-N-PHTHALIMIDOAZIRIDINE, (3.BETA., 5.ALPHA.)-
Technical Specifications
| Molecular Formula | C35H49ClN2O2 |
| Molecular Weight | 564.34827 g/mol |
| XLogP | 10.3 |
| Topological Polar Surface Area (TPSA) | 40.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 564.34827 Da |
| Heavy Atoms | 40 |
| Complexity | 1020.0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]4[C@@]5([C@@]3(CC[C@@H](C5)Cl)C)N4N6C(=O)C7=CC=CC=C7C6=O)C |
| InChIKey | RCQVCZWDZMGIJP-PTALFMFVSA-N |
Chemical Property Profile of 3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine
Property Insights of 3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine
The XLogP value of 10.3 indicates that 3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.4 Ų, 3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine?
The CAS number of 3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine is 118517-21-8.
What is the molecular formula of 3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine?
The molecular formula of 3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine is C35H49ClN2O2.
What is the molecular weight of 3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine?
The molecular weight of 3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine is 564.34827 g/mol.
Where can I buy 3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine?
You can request a quote for 3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine?
Yes, CoreyChem provides custom synthesis services for 3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.