cholest-5-en-3-yl dichloroacetate
TL;DR: cholest-5-en-3-yl dichloroacetate (CAS 78406-12-9) is a chemical compound with molecular formula C29H46Cl2O2 and molecular weight 496.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dichloroacetate
Also Known As: cholest-5-en-3-yl dichloroacetate, Dichloressigsaeure-cholesterylester, [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dichloroacetate
| Molecular Formula | C29H46Cl2O2 |
|---|---|
| Molecular Weight | 496.29 g/mol |
| LogP | 10.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.28748 |
| Heavy Atoms | 33 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 78406-12-9 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C(Cl)Cl)C)C |
| InChIKey | IAZKUQHFBGEWGA-UHFFFAOYSA-N |
Product Overview
cholest-5-en-3-yl dichloroacetate (CAS 78406-12-9), with molecular formula C29H46Cl2O2 and molecular weight 496.29 g/mol. IUPAC: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2-dichloroacetate.
Chemical Property Profile of cholest-5-en-3-yl dichloroacetate
Property Insights of cholest-5-en-3-yl dichloroacetate
The XLogP value of 10.5 indicates that cholest-5-en-3-yl dichloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, cholest-5-en-3-yl dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cholest-5-en-3-yl dichloroacetate 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 cholest-5-en-3-yl dichloroacetate?
The CAS number of cholest-5-en-3-yl dichloroacetate is 78406-12-9.
What is the molecular formula of cholest-5-en-3-yl dichloroacetate?
The molecular formula of cholest-5-en-3-yl dichloroacetate is C29H46Cl2O2.
What is the molecular weight of cholest-5-en-3-yl dichloroacetate?
The molecular weight of cholest-5-en-3-yl dichloroacetate is 496.29 g/mol.
Where can I buy cholest-5-en-3-yl dichloroacetate?
You can request a quote for cholest-5-en-3-yl dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cholest-5-en-3-yl dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for cholest-5-en-3-yl dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.