2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate
TL;DR: 2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate (CAS 439094-36-7) is a chemical compound with molecular formula C17H15Br2NO4 and molecular weight 454.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dibromo-6-methyl-3-propan-2-ylphenyl) 3-nitrobenzoate
Also Known As: 2,4-dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate, (2,4-dibromo-6-methyl-3-propan-2-ylphenyl) 3-nitrobenzoate, 11R-0647, 2,4-dibromo-6-methyl-3-(propan-2-yl)phenyl 3-nitrobenzoate, 2,4-dibromo-6-methyl-3-(propan-2-yl)phenyl3-nitrobenzoate
| Molecular Formula | C17H15Br2NO4 |
|---|---|
| Molecular Weight | 454.94 g/mol |
| LogP | 5.77082 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.93677 |
| Heavy Atoms | 24 |
| Complexity | 818.4781 |
Chemical Identifiers
| CAS Number | 439094-36-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Br)C(C)C)Br |
Product Overview
2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate (CAS 439094-36-7), with molecular formula C17H15Br2NO4 and molecular weight 454.94 g/mol. IUPAC: (2,4-dibromo-6-methyl-3-propan-2-ylphenyl) 3-nitrobenzoate.
Chemical Property Profile of 2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate
Property Insights of 2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate
The XLogP value of 5.77082 indicates that 2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, 2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate?
The CAS number of 2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate is 439094-36-7.
What is the molecular formula of 2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate?
The molecular formula of 2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate is C17H15Br2NO4.
What is the molecular weight of 2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate?
The molecular weight of 2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate is 454.94 g/mol.
Where can I buy 2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate?
You can request a quote for 2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dibromo-3-isopropyl-6-methylphenyl 3-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.