Cholesta-5,7-dien-3beta-yl acetate
TL;DR: Cholesta-5,7-dien-3beta-yl acetate (CAS 1059-86-5) is a chemical compound with molecular formula C29H46O2 and molecular weight 426.3498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 7-Dehydrocholesterol acetate, 7-Dehydrocholesteryl acetate, 3beta-Acetoxychoesta-5,7-diene, Vitamin D3 Impurity 21, Cholesta-5,7-dien-3beta-yl acetate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C29H46O2 |
| Molecular Weight | 426.3498 g/mol |
| XLogP | 8.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.3498 Da |
| Heavy Atoms | 31 |
| Complexity | 746.0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C |
| InChIKey | ACGNVBRAISEVDK-RPIQFHTISA-N |
Chemical Property Profile of Cholesta-5,7-dien-3beta-yl acetate
Property Insights of Cholesta-5,7-dien-3beta-yl acetate
The XLogP value of 8.5 indicates that Cholesta-5,7-dien-3beta-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cholesta-5,7-dien-3beta-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesta-5,7-dien-3beta-yl acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cholesta-5,7-dien-3beta-yl acetate?
The CAS number of Cholesta-5,7-dien-3beta-yl acetate is 1059-86-5.
What is the molecular formula of Cholesta-5,7-dien-3beta-yl acetate?
The molecular formula of Cholesta-5,7-dien-3beta-yl acetate is C29H46O2.
What is the molecular weight of Cholesta-5,7-dien-3beta-yl acetate?
The molecular weight of Cholesta-5,7-dien-3beta-yl acetate is 426.3498 g/mol.
Where can I buy Cholesta-5,7-dien-3beta-yl acetate?
You can request a quote for Cholesta-5,7-dien-3beta-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cholesta-5,7-dien-3beta-yl acetate?
Yes, CoreyChem provides custom synthesis services for Cholesta-5,7-dien-3beta-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.