Cholest-5-en-3-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate
TL;DR: Cholest-5-en-3-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate (CAS 24147-54-4) is a chemical compound with molecular formula C36H51N3O6 and molecular weight 621.38 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] 4-(aziridin-1-yl)-3,5-dinitrobenzoate
Also Known As: cholest-5-en-3-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate, F2161-0030, [(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(aziridin-1-yl)-3,5-dinitrobenzoate, [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] 4-(aziridin-1-yl)-3,5-dinitrobenzoate
| Molecular Formula | C36H51N3O6 |
|---|---|
| Molecular Weight | 621.38 g/mol |
| LogP | 10.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 621.3778 |
| Heavy Atoms | 45 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 24147-54-4 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC(=C(C(=C5)[N+](=O)[O-])N6CC6)[N+](=O)[O-])C)C |
| InChIKey | XQUAXGTVSUXCHW-UHFFFAOYSA-N |
Product Overview
Cholest-5-en-3-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate (CAS 24147-54-4), with molecular formula C36H51N3O6 and molecular weight 621.38 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] 4-(aziridin-1-yl)-3,5-dinitrobenzoate.
Chemical Property Profile of Cholest-5-en-3-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate
Property Insights of Cholest-5-en-3-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate
The XLogP value of 10.3 indicates that Cholest-5-en-3-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cholest-5-en-3-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate. Following Lipinski's Rule of Five, Cholest-5-en-3-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 7 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 4-(aziridin-1-yl)-3,5-dinitrobenzoate?
The CAS number of Cholest-5-en-3-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate is 24147-54-4.
What is the molecular formula of Cholest-5-en-3-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate?
The molecular formula of Cholest-5-en-3-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate is C36H51N3O6.
What is the molecular weight of Cholest-5-en-3-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate?
The molecular weight of Cholest-5-en-3-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate is 621.38 g/mol.
Where can I buy Cholest-5-en-3-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate?
You can request a quote for Cholest-5-en-3-yl 4-(aziridin-1-yl)-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-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Cholest-5-en-3-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.