Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate)
TL;DR: Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate) (CAS 25279-63-4) is a chemical compound with molecular formula C34H48N2O6 and molecular weight 580.35 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] 3,5-dinitrobenzoate
Also Known As: Cholesterol 3,5-dinitrobenzoate, Cholest-5-en-3-yl 3,5-dinitrobenzoate, Cholest-5-en-3-ol (3beta)-, 3,5-dinitrobenzoate, Cholest-5-en-3-ol (3b)-, 3,5-dinitrobenzoate, Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate)
| Molecular Formula | C34H48N2O6 |
|---|---|
| Molecular Weight | 580.35 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 580.35126 |
| Heavy Atoms | 42 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 25279-63-4 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-])C)C |
| InChIKey | HHGUYYDVBVJLCU-UHFFFAOYSA-N |
Product Overview
Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate) (CAS 25279-63-4), with molecular formula C34H48N2O6 and molecular weight 580.35 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] 3,5-dinitrobenzoate.
Chemical Property Profile of Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate)
Property Insights of Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate)
The XLogP value of 10.4 indicates that Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate). Following Lipinski's Rule of Five, Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate) has 0 hydrogen bond donor(s) and 6 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-ol (3beta)-, 3-(3,5-dinitrobenzoate)?
The CAS number of Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate) is 25279-63-4.
What is the molecular formula of Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate)?
The molecular formula of Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate) is C34H48N2O6.
What is the molecular weight of Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate)?
The molecular weight of Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate) is 580.35 g/mol.
Where can I buy Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate)?
You can request a quote for Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate) 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-ol (3beta)-, 3-(3,5-dinitrobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.