2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one
TL;DR: 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one (CAS 95111-49-2) is a chemical compound with molecular formula C7H3Br4NO3 and molecular weight 464.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dien-1-one
Also Known As: 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one, 2,3,5,6-tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dien-1-one, 2,3,5,6-Tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dienone, 2,3,5,6-tetrabromo-4-methyl-4-nitro-cyclohexa-2,5-dien-1-one, 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadienone
| Molecular Formula | C7H3Br4NO3 |
|---|---|
| Molecular Weight | 464.68 g/mol |
| LogP | 3.6073 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 464.68463 |
| Heavy Atoms | 15 |
| Complexity | 397.95123 |
Chemical Identifiers
| CAS Number | 95111-49-2 |
|---|---|
| SMILES | CC1(C(=C(C(=O)C(=C1Br)Br)Br)Br)[N+](=O)[O-] |
Product Overview
2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one (CAS 95111-49-2), with molecular formula C7H3Br4NO3 and molecular weight 464.68 g/mol. IUPAC: 2,3,5,6-tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one
Property Insights of 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one
The XLogP value of 3.6073 indicates that 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one. Following Lipinski's Rule of Five, 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one has 0 hydrogen bond donor(s) and 3 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 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one?
The CAS number of 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one is 95111-49-2.
What is the molecular formula of 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one?
The molecular formula of 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one is C7H3Br4NO3.
What is the molecular weight of 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one?
The molecular weight of 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one is 464.68 g/mol.
Where can I buy 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one?
You can request a quote for 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.