1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine
TL;DR: 1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine (CAS 90932-87-9) is a chemical compound with molecular formula C6H3Br2N3O2 and molecular weight 306.8592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine
Also Known As: 1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine
Technical Specifications
| Molecular Formula | C6H3Br2N3O2 |
| Molecular Weight | 306.8592 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 70.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 308.85715 Da |
| Heavy Atoms | 13 |
| Complexity | 351.0 |
| SMILES | C1=CC(=NBr)C(=CC1=NBr)[N+](=O)[O-] |
| InChIKey | XYDHHSBULUTVBH-UHFFFAOYSA-N |
Chemical Property Profile of 1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine
Property Insights of 1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine. Following Lipinski's Rule of Five, 1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine 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 1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine?
The CAS number of 1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine is 90932-87-9.
What is the molecular formula of 1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine?
The molecular formula of 1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine is C6H3Br2N3O2.
What is the molecular weight of 1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine?
The molecular weight of 1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine is 306.8592 g/mol.
Where can I buy 1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine?
You can request a quote for 1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine?
Yes, CoreyChem provides custom synthesis services for 1-N,4-N-dibromo-2-nitrocyclohexa-2,5-diene-1,4-diimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.