1-Nitro-2,4,6-triisopropylbenzene
TL;DR: 1-Nitro-2,4,6-triisopropylbenzene (CAS 13402-31-8) is a chemical compound with molecular formula C15H23NO2 and molecular weight 249.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-1,3,5-tri(propan-2-yl)benzene
Also Known As: 1,3,5-triisopropyl-2-nitrobenzene, 1-Nitro-2,4,6-triisopropylbenzene, Maybridge1_005506, DivK1c_001794, 2-nitro-1,3,5-tri(propan-2-yl)benzene
| Molecular Formula | C15H23NO2 |
|---|---|
| Molecular Weight | 249.17 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.17288 |
| Heavy Atoms | 18 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 13402-31-8 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)[N+](=O)[O-])C(C)C |
| InChIKey | FGBSHFPGPYKJJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-2,4,6-triisopropylbenzene (CAS 13402-31-8), with molecular formula C15H23NO2 and molecular weight 249.17 g/mol. IUPAC: 2-nitro-1,3,5-tri(propan-2-yl)benzene.
Chemical Property Profile of 1-Nitro-2,4,6-triisopropylbenzene
Property Insights of 1-Nitro-2,4,6-triisopropylbenzene
The XLogP value of 5.1 indicates that 1-Nitro-2,4,6-triisopropylbenzene 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-Nitro-2,4,6-triisopropylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-2,4,6-triisopropylbenzene 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-Nitro-2,4,6-triisopropylbenzene?
The CAS number of 1-Nitro-2,4,6-triisopropylbenzene is 13402-31-8.
What is the molecular formula of 1-Nitro-2,4,6-triisopropylbenzene?
The molecular formula of 1-Nitro-2,4,6-triisopropylbenzene is C15H23NO2.
What is the molecular weight of 1-Nitro-2,4,6-triisopropylbenzene?
The molecular weight of 1-Nitro-2,4,6-triisopropylbenzene is 249.17 g/mol.
Where can I buy 1-Nitro-2,4,6-triisopropylbenzene?
You can request a quote for 1-Nitro-2,4,6-triisopropylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-2,4,6-triisopropylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-2,4,6-triisopropylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.