Cholest-5-en-3-yl 2-hydroxybenzoate
TL;DR: Cholest-5-en-3-yl 2-hydroxybenzoate (CAS 7461-18-9) is a chemical compound with molecular formula C34H50O3 and molecular weight 506.38 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-hydroxybenzoate
Also Known As: Cholest-5-en-3-yl 2-hydroxybenzoate, Cholest-5-en-3-ol (3.beta.)-, 2-hydroxybenzoate, [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-hydroxybenzoate
| Molecular Formula | C34H50O3 |
|---|---|
| Molecular Weight | 506.38 g/mol |
| LogP | 11.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.376 |
| Heavy Atoms | 37 |
| Complexity | 846.0 |
Chemical Identifiers
| CAS Number | 7461-18-9 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5O)C)C |
| InChIKey | HWSJZSGRBJXEJQ-UHFFFAOYSA-N |
Product Overview
Cholest-5-en-3-yl 2-hydroxybenzoate (CAS 7461-18-9), with molecular formula C34H50O3 and molecular weight 506.38 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-hydroxybenzoate.
Chemical Property Profile of Cholest-5-en-3-yl 2-hydroxybenzoate
Property Insights of Cholest-5-en-3-yl 2-hydroxybenzoate
The XLogP value of 11.0 indicates that Cholest-5-en-3-yl 2-hydroxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Cholest-5-en-3-yl 2-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-5-en-3-yl 2-hydroxybenzoate has 1 hydrogen bond donor(s) and 3 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 2-hydroxybenzoate?
The CAS number of Cholest-5-en-3-yl 2-hydroxybenzoate is 7461-18-9.
What is the molecular formula of Cholest-5-en-3-yl 2-hydroxybenzoate?
The molecular formula of Cholest-5-en-3-yl 2-hydroxybenzoate is C34H50O3.
What is the molecular weight of Cholest-5-en-3-yl 2-hydroxybenzoate?
The molecular weight of Cholest-5-en-3-yl 2-hydroxybenzoate is 506.38 g/mol.
Where can I buy Cholest-5-en-3-yl 2-hydroxybenzoate?
You can request a quote for Cholest-5-en-3-yl 2-hydroxybenzoate 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 2-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Cholest-5-en-3-yl 2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.