2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione
TL;DR: 2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione (CAS 113278-26-5) is a chemical compound with molecular formula C12H13BrN2O2 and molecular weight 296.01605 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-bis(aziridin-1-yl)-3-bromo-6-ethylcyclohexa-2,5-diene-1,4-dione
Also Known As: TW25, TW 25, 2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione, 2,5-bis(aziridin-1-yl)-3-bromo-6-ethylcyclohexa-2,5-diene-1,4-dione, 3-Bromo-6-ethyl-2,5-di(aziridin-1-yl)-1,4-benzoquinone
Technical Specifications
| Molecular Formula | C12H13BrN2O2 |
| Molecular Weight | 296.01605 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.01605 Da |
| Heavy Atoms | 17 |
| Complexity | 485.0 |
| SMILES | CCC1=C(C(=O)C(=C(C1=O)N2CC2)Br)N3CC3 |
| InChIKey | QLCVCPLHSTWZAX-UHFFFAOYSA-N |
Chemical Property Profile of 2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione
Property Insights of 2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione. With a topological polar surface area (TPSA) of 40.2 Ų, 2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione?
The CAS number of 2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione is 113278-26-5.
What is the molecular formula of 2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione?
The molecular formula of 2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione is C12H13BrN2O2.
What is the molecular weight of 2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione?
The molecular weight of 2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione is 296.01605 g/mol.
Where can I buy 2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione?
You can request a quote for 2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione?
Yes, CoreyChem provides custom synthesis services for 2,5-Bis(1-aziridinyl)-3-bromo-6-ethyl-2,5-cyclohexadiene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.