Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI)
TL;DR: Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI) (CAS 103442-67-7) is a chemical compound with molecular formula C41H50N4O12 and molecular weight 790.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[3-(3,5-dinitrobenzoyl)oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] 3,5-dinitrobenzoate
Also Known As: Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI), 26-[(3,5-Dinitrobenzoyl)oxy]cholest-5-en-3-yl 3,5-dinitrobenzoate, [6-[3-(3,5-dinitrobenzoyl)oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] 3,5-dinitrobenzoate
| Molecular Formula | C41H50N4O12 |
|---|---|
| Molecular Weight | 790.34 g/mol |
| LogP | 10.9 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 790.3425 |
| Heavy Atoms | 57 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 103442-67-7 |
|---|---|
| SMILES | CC(CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-])C)C)COC(=O)C6=CC(=CC(=C6)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NYIKUHFYLOVPNT-UHFFFAOYSA-N |
Product Overview
Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI) (CAS 103442-67-7), with molecular formula C41H50N4O12 and molecular weight 790.34 g/mol. IUPAC: [6-[3-(3,5-dinitrobenzoyl)oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] 3,5-dinitrobenzoate.
Chemical Property Profile of Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI)
Property Insights of Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI)
The XLogP value of 10.9 indicates that Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 236.0 Ų indicates high polarity, suggesting Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI) has 0 hydrogen bond donor(s) and 12 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-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI)?
The CAS number of Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI) is 103442-67-7.
What is the molecular formula of Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI)?
The molecular formula of Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI) is C41H50N4O12.
What is the molecular weight of Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI)?
The molecular weight of Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI) is 790.34 g/mol.
Where can I buy Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI)?
You can request a quote for Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI)?
Yes, KEHONG BIO provides custom synthesis services for Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.