7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate
TL;DR: 7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate (CAS 40824-59-7) 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.
[7-hydroxy-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] benzoate
Also Known As: 7-Hydroxycholest-5-en-3-yl benzoate, 7-BETA-HYDROXYCHOLEST-5-EN-3-BETA-YL BENZOATE, (3I(2),7I+/-)-Cholest-5-ene-3,7-diol 3-Benzoate, 7-ALPHA-HYDROXYCHOLEST-5-EN-3-BETA-YL BENZOATE, [7-hydroxy-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] benzoate
| Molecular Formula | C34H50O3 |
|---|---|
| Molecular Weight | 506.38 g/mol |
| LogP | 9.7 |
| 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 | 840.0 |
Chemical Identifiers
| CAS Number | 40824-59-7 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)O)C |
| InChIKey | YAQOZGBTTMUPRW-UHFFFAOYSA-N |
Product Overview
7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate (CAS 40824-59-7), with molecular formula C34H50O3 and molecular weight 506.38 g/mol. IUPAC: [7-hydroxy-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] benzoate.
Chemical Property Profile of 7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate
Property Insights of 7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate
The XLogP value of 9.7 indicates that 7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate 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 7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate?
The CAS number of 7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate is 40824-59-7.
What is the molecular formula of 7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate?
The molecular formula of 7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate is C34H50O3.
What is the molecular weight of 7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate?
The molecular weight of 7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate is 506.38 g/mol.
Where can I buy 7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate?
You can request a quote for 7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate?
Yes, KEHONG BIO provides custom synthesis services for 7-beta-Hydroxycholest-5-EN-3-beta-YL benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.