17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate
TL;DR: 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate (CAS 24147-55-5) is a chemical compound with molecular formula C30H33N3O10 and molecular weight 595.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 4-(aziridin-1-yl)-3,5-dinitrobenzoate
Also Known As: 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate, F2161-0030, [2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 4-(aziridin-1-yl)-3,5-dinitrobenzoate, [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-(aziridin-1-yl)-3,5-dinitrobenzoate
| Molecular Formula | C30H33N3O10 |
|---|---|
| Molecular Weight | 595.22 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 595.2166 |
| Heavy Atoms | 43 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 24147-55-5 |
|---|---|
| SMILES | CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)COC(=O)C5=CC(=C(C(=C5)[N+](=O)[O-])N6CC6)[N+](=O)[O-])O)C |
| InChIKey | QAJVADBOCGQWDC-UHFFFAOYSA-N |
Product Overview
17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate (CAS 24147-55-5), with molecular formula C30H33N3O10 and molecular weight 595.22 g/mol. IUPAC: [2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 4-(aziridin-1-yl)-3,5-dinitrobenzoate.
Chemical Property Profile of 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate
Property Insights of 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate
The XLogP value of 3.3 indicates that 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.0 Ų indicates high polarity, suggesting 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate?
The CAS number of 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate is 24147-55-5.
What is the molecular formula of 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate?
The molecular formula of 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate is C30H33N3O10.
What is the molecular weight of 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate?
The molecular weight of 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate is 595.22 g/mol.
Where can I buy 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate?
You can request a quote for 17-Hydroxy-3,11,20-trioxopregn-4-en-21-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 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.