Cholest-5-en-3beta-yl p-chlorobenzoate
TL;DR: Cholest-5-en-3beta-yl p-chlorobenzoate (CAS 22575-27-5) is a chemical compound with molecular formula C34H49ClO2 and molecular weight 524.34 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] 4-chlorobenzoate
Also Known As: cholest-5-en-3-yl 4-chlorobenzoate, Cholest-5-en-3beta-yl p-chlorobenzoate, cholest-5-en-3, A-ol p-chlorobenzoate, [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] 4-chlorobenzoate
| Molecular Formula | C34H49ClO2 |
|---|---|
| Molecular Weight | 524.34 g/mol |
| LogP | 11.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 524.3421 |
| Heavy Atoms | 37 |
| Complexity | 841.0 |
Chemical Identifiers
| CAS Number | 22575-27-5 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=C(C=C5)Cl)C)C |
| InChIKey | LOSYTXYCFKYHMJ-UHFFFAOYSA-N |
Product Overview
Cholest-5-en-3beta-yl p-chlorobenzoate (CAS 22575-27-5), with molecular formula C34H49ClO2 and molecular weight 524.34 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] 4-chlorobenzoate.
Chemical Property Profile of Cholest-5-en-3beta-yl p-chlorobenzoate
Property Insights of Cholest-5-en-3beta-yl p-chlorobenzoate
The XLogP value of 11.4 indicates that Cholest-5-en-3beta-yl p-chlorobenzoate 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-3beta-yl p-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-5-en-3beta-yl p-chlorobenzoate 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-3beta-yl p-chlorobenzoate?
The CAS number of Cholest-5-en-3beta-yl p-chlorobenzoate is 22575-27-5.
What is the molecular formula of Cholest-5-en-3beta-yl p-chlorobenzoate?
The molecular formula of Cholest-5-en-3beta-yl p-chlorobenzoate is C34H49ClO2.
What is the molecular weight of Cholest-5-en-3beta-yl p-chlorobenzoate?
The molecular weight of Cholest-5-en-3beta-yl p-chlorobenzoate is 524.34 g/mol.
Where can I buy Cholest-5-en-3beta-yl p-chlorobenzoate?
You can request a quote for Cholest-5-en-3beta-yl p-chlorobenzoate 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-3beta-yl p-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Cholest-5-en-3beta-yl p-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.