1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene
TL;DR: 1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene (CAS 40572-22-3) is a chemical compound with molecular formula C23H39NO2 and molecular weight 361.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene
Also Known As: 1,3,5-tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene, 1,3-Dimethyl-2,4,6-trineopentyl-5-nitrobenzene, 1,3-Dimethyl-2,4,6-trineopentyl-5-nitrobenzene #, Benzene, 1,3,5-tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitro-, RefChem:217508
| Molecular Formula | C23H39NO2 |
|---|---|
| Molecular Weight | 361.30 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.29807 |
| Heavy Atoms | 26 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 40572-22-3 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1CC(C)(C)C)[N+](=O)[O-])CC(C)(C)C)C)CC(C)(C)C |
| InChIKey | FUGNXSGCLVOGSR-UHFFFAOYSA-N |
Product Overview
1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene (CAS 40572-22-3), with molecular formula C23H39NO2 and molecular weight 361.30 g/mol. IUPAC: 1,3,5-tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene.
Chemical Property Profile of 1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene
Property Insights of 1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene
The XLogP value of 8.4 indicates that 1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene?
The CAS number of 1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene is 40572-22-3.
What is the molecular formula of 1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene?
The molecular formula of 1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene is C23H39NO2.
What is the molecular weight of 1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene?
The molecular weight of 1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene is 361.30 g/mol.
Where can I buy 1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene?
You can request a quote for 1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Tris(2,2-dimethylpropyl)-2,4-dimethyl-6-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.