3,20-Dioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate
TL;DR: 3,20-Dioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate (CAS 24235-04-9) is a chemical compound with molecular formula C30H35N3O8 and molecular weight 565.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 4-(aziridin-1-yl)-3,5-dinitrobenzoate
Also Known As: 3,4-diphenylcyclobuten-1,2-dione, 3,20-dioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate, [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 4-(aziridin-1-yl)-3,5-dinitrobenzoate
| Molecular Formula | C30H35N3O8 |
|---|---|
| Molecular Weight | 565.24 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 565.24243 |
| Heavy Atoms | 41 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 24235-04-9 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2C(=O)COC(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])N5CC5)[N+](=O)[O-])CCC6=CC(=O)CCC36C |
| InChIKey | AQHNHFOCCWIHKM-UHFFFAOYSA-N |
Product Overview
3,20-Dioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate (CAS 24235-04-9), with molecular formula C30H35N3O8 and molecular weight 565.24 g/mol. IUPAC: [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 4-(aziridin-1-yl)-3,5-dinitrobenzoate.
Chemical Property Profile of 3,20-Dioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate
Property Insights of 3,20-Dioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate
The XLogP value of 4.3 indicates that 3,20-Dioxopregn-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 155.0 Ų indicates high polarity, suggesting 3,20-Dioxopregn-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, 3,20-Dioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,20-Dioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate?
The CAS number of 3,20-Dioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate is 24235-04-9.
What is the molecular formula of 3,20-Dioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate?
The molecular formula of 3,20-Dioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate is C30H35N3O8.
What is the molecular weight of 3,20-Dioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate?
The molecular weight of 3,20-Dioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate is 565.24 g/mol.
Where can I buy 3,20-Dioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate?
You can request a quote for 3,20-Dioxopregn-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 3,20-Dioxopregn-4-en-21-yl 4-(aziridin-1-yl)-3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,20-Dioxopregn-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.