ACEA 1031
TL;DR: ACEA 1031 (CAS 153504-82-6) is a chemical compound with molecular formula C8H3Br2N3O4 and molecular weight 362.84903 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dibromo-5-nitro-1,4-dihydroquinoxaline-2,3-dione
Also Known As: ACEA 1031, 5-nitro-6,7-dibromo-1,4-dihydro-2,3-quinoxalinedione, SID:134223239, 6,7-dibromo-5-nitro-2,3-quinoxalinedione, 6,7-dibromo-5-nitro-1,4-dihydroquinoxaline-2,3-dione
Technical Specifications
| Molecular Formula | C8H3Br2N3O4 |
| Molecular Weight | 362.84903 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 362.84903 Da |
| Heavy Atoms | 17 |
| Complexity | 385.0 |
| SMILES | C1=C2C(=C(C(=C1Br)Br)[N+](=O)[O-])NC(=O)C(=O)N2 |
| InChIKey | HPDZNXVZXICVSF-UHFFFAOYSA-N |
Chemical Property Profile of ACEA 1031
Property Insights of ACEA 1031
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ACEA 1031. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ACEA 1031. Following Lipinski's Rule of Five, ACEA 1031 has 2 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 ACEA 1031?
The CAS number of ACEA 1031 is 153504-82-6.
What is the molecular formula of ACEA 1031?
The molecular formula of ACEA 1031 is C8H3Br2N3O4.
What is the molecular weight of ACEA 1031?
The molecular weight of ACEA 1031 is 362.84903 g/mol.
Where can I buy ACEA 1031?
You can request a quote for ACEA 1031 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ACEA 1031?
Yes, CoreyChem provides custom synthesis services for ACEA 1031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.