5,8-Dibromo-5,8-dinitrododecane-2,11-dione
TL;DR: 5,8-Dibromo-5,8-dinitrododecane-2,11-dione (CAS 7404-83-3) is a chemical compound with molecular formula C12H18Br2N2O6 and molecular weight 443.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,8-dibromo-5,8-dinitrododecane-2,11-dione
Also Known As: 5,8-dibromo-5,8-dinitrododecane-2,11-dione, 5,8-dibromo-5,8-dinitro-dodecane-2,11-dione
| Molecular Formula | C12H18Br2N2O6 |
|---|---|
| Molecular Weight | 443.95 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 443.95316 |
| Heavy Atoms | 22 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 7404-83-3 |
|---|---|
| SMILES | CC(=O)CCC(CCC(CCC(=O)C)([N+](=O)[O-])Br)([N+](=O)[O-])Br |
| InChIKey | SLQWDVMCAZEWKN-UHFFFAOYSA-N |
Product Overview
5,8-Dibromo-5,8-dinitrododecane-2,11-dione (CAS 7404-83-3), with molecular formula C12H18Br2N2O6 and molecular weight 443.95 g/mol. IUPAC: 5,8-dibromo-5,8-dinitrododecane-2,11-dione.
Chemical Property Profile of 5,8-Dibromo-5,8-dinitrododecane-2,11-dione
Property Insights of 5,8-Dibromo-5,8-dinitrododecane-2,11-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,8-Dibromo-5,8-dinitrododecane-2,11-dione. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,8-Dibromo-5,8-dinitrododecane-2,11-dione. Following Lipinski's Rule of Five, 5,8-Dibromo-5,8-dinitrododecane-2,11-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,8-Dibromo-5,8-dinitrododecane-2,11-dione?
The CAS number of 5,8-Dibromo-5,8-dinitrododecane-2,11-dione is 7404-83-3.
What is the molecular formula of 5,8-Dibromo-5,8-dinitrododecane-2,11-dione?
The molecular formula of 5,8-Dibromo-5,8-dinitrododecane-2,11-dione is C12H18Br2N2O6.
What is the molecular weight of 5,8-Dibromo-5,8-dinitrododecane-2,11-dione?
The molecular weight of 5,8-Dibromo-5,8-dinitrododecane-2,11-dione is 443.95 g/mol.
Where can I buy 5,8-Dibromo-5,8-dinitrododecane-2,11-dione?
You can request a quote for 5,8-Dibromo-5,8-dinitrododecane-2,11-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,8-Dibromo-5,8-dinitrododecane-2,11-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,8-Dibromo-5,8-dinitrododecane-2,11-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.