Cholesteryl chloroacetate
TL;DR: Cholesteryl chloroacetate (CAS 3464-50-4) is a chemical compound with molecular formula C29H47ClO2 and molecular weight 462.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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
| Molecular Formula | C29H47ClO2 |
|---|---|
| Molecular Weight | 462.33 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.32645 |
| Heavy Atoms | 32 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 3464-50-4 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholesteryl chloroacetate (CAS 3464-50-4), with molecular formula C29H47ClO2 and molecular weight 462.33 g/mol. IUPAC: [(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.
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
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 462.33 g/mol.
Where can I buy Cholesteryl chloroacetate?
You can request a quote for Cholesteryl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesteryl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Cholesteryl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.