2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione
TL;DR: 2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione (CAS 6944-79-2) is a chemical compound with molecular formula C12H7Br2NO4 and molecular weight 386.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione
Also Known As: 2,3-dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione, 1,4-Naphthalenedione,2,3-dibromo-6,7-dimethyl-5-nitro-
| Molecular Formula | C12H7Br2NO4 |
|---|---|
| Molecular Weight | 386.87 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 386.87418 |
| Heavy Atoms | 19 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 6944-79-2 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1C)[N+](=O)[O-])C(=O)C(=C(C2=O)Br)Br |
| InChIKey | UUZSXLHMCOECMH-UHFFFAOYSA-N |
Product Overview
2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione (CAS 6944-79-2), with molecular formula C12H7Br2NO4 and molecular weight 386.87 g/mol. IUPAC: 2,3-dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione.
Chemical Property Profile of 2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione
Property Insights of 2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione
The XLogP value of 3.8 indicates that 2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione. Following Lipinski's Rule of Five, 2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-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
Frequently Asked Questions
What is the CAS number of 2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione?
The CAS number of 2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione is 6944-79-2.
What is the molecular formula of 2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione?
The molecular formula of 2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione is C12H7Br2NO4.
What is the molecular weight of 2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione?
The molecular weight of 2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione is 386.87 g/mol.
Where can I buy 2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione?
You can request a quote for 2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dibromo-6,7-dimethyl-5-nitronaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.