3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine
TL;DR: 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine (CAS 118517-20-7) is a chemical compound with molecular formula C37H52N2O4 and molecular weight 588.3927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2R,5S,7R,9S,11S,12S,15R,16R)-8-(1,3-dioxoisoindol-2-yl)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-azapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate
Also Known As: 3-ACPIA, 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine, 3beta-Acetoxy-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine, 3-beta-Acetoxy-5alpha-cholestano(5,6-b)N-phthalimidoaziridine, 1H-Isoindole-1,3(2H)-dione, 2-((3-beta,5R,6-beta)-3-(acetyloxy)cholestano(5,6-b)azirin-1'(6H)-yl)-
Technical Specifications
| Molecular Formula | C37H52N2O4 |
| Molecular Weight | 588.3927 g/mol |
| XLogP | 9.6 |
| Topological Polar Surface Area (TPSA) | 66.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 588.3927 Da |
| Heavy Atoms | 43 |
| Complexity | 1130.0 |
| 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)OC(=O)C)C)N4N6C(=O)C7=CC=CC=C7C6=O)C |
| InChIKey | YPVNQSYTFZVXIY-BENLHTCUSA-N |
Chemical Property Profile of 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine
Property Insights of 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine
The XLogP value of 9.6 indicates that 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine. Following Lipinski's Rule of Five, 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine?
The CAS number of 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine is 118517-20-7.
What is the molecular formula of 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine?
The molecular formula of 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine is C37H52N2O4.
What is the molecular weight of 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine?
The molecular weight of 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine is 588.3927 g/mol.
Where can I buy 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine?
You can request a quote for 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine?
Yes, CoreyChem provides custom synthesis services for 3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.