Cholesteryl chloroacetate
TL;DR: Cholesteryl chloroacetate (CAS 3464-50-4) is a chemical compound with molecular formula C29H47ClO2 and molecular weight 462.32645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-chloroacetate
Also Known As: cholesterol chloroacetate, Cholesteryl chloroacetate, Cholesterolchloroacetate, 3Beta-chloroacetoxycholest-5-ene, Cholest-5-ene-3-beta-yl chloroacetate
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C29H47ClO2 |
| Molecular Weight | 462.32645 g/mol |
| XLogP | 9.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.32645 Da |
| Heavy Atoms | 32 |
| Complexity | 714.0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCl)C)C |
| InChIKey | XUXXPLDKUZSGKH-OHPSOFBHSA-N |
Product Description
Applications: Cholesteryl chloroacetate is used in pharmaceutical synthesis routes and API production, as well as specialty chemical manufacturing and formulation. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Cholesteryl chloroacetate is a pharmaceutical intermediate identified by CAS number 3464-50-4 and the molecular formula C29H47ClO2 and a molecular weight of 462.33 g/mol. Synonyms include cholesterol chloroacetate and Cholesteryl chloroacetate.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Cholesteryl chloroacetate
Property Insights of Cholesteryl chloroacetate
The XLogP value of 9.7 indicates that Cholesteryl chloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cholesteryl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesteryl chloroacetate 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 Cholesteryl chloroacetate?
The CAS number of Cholesteryl chloroacetate is 3464-50-4.
What is the molecular formula of Cholesteryl chloroacetate?
The molecular formula of Cholesteryl chloroacetate is C29H47ClO2.
What is the molecular weight of Cholesteryl chloroacetate?
The molecular weight of Cholesteryl chloroacetate is 462.32645 g/mol.
What are the applications of Cholesteryl chloroacetate?
Cholesteryl chloroacetate is used in pharmaceutical synthesis routes and API production, as well as specialty chemical manufacturing and formulation. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project...
Where can I buy Cholesteryl chloroacetate?
You can request a quote for Cholesteryl chloroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cholesteryl chloroacetate?
Yes, CoreyChem provides custom synthesis services for Cholesteryl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.