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Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI) structure
Fine Chemical

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 790.3425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

[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

CAS Number
103442-67-7
Molecular Formula
C41H50N4O12
Molecular Weight
790.3425 g/mol
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Technical Specifications

Molecular FormulaC41H50N4O12
Molecular Weight790.3425 g/mol
XLogP10.9
Topological Polar Surface Area (TPSA)236.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors12
Rotatable Bonds12
Exact Mass790.3425 Da
Heavy Atoms57
Complexity1540.0
SMILESCC(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-]
InChIKeyNYIKUHFYLOVPNT-UHFFFAOYSA-N

Product Description

Applications: ACMC-20arnq is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

A fine chemical supplied by CoreyChem, ACMC-20arnq (CAS 103442-67-7) has the molecular formula C41H50N4O12 and a molecular weight of 790.34 g/mol. Synonyms include ACMC-20arnq and Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI).

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI)

XLogP
10.9
TPSA (Topological Polar Surface Area)
236.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
12
Rotatable Bonds
12
Heavy Atoms
57
Complexity
1540.0
Exact Mass
790.3425
Monoisotopic Mass
790.3425
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

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

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 790.3425 g/mol.

What are the applications of Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI)?

ACMC-20arnq is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

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 CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Cholest-5-ene-3b,26-diol,bis(3,5-dinitrobenzoate) (6CI)?

Yes, CoreyChem 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.

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