5-Nitro-2,4-di(propan-2-yl)aniline
TL;DR: 5-Nitro-2,4-di(propan-2-yl)aniline (CAS 16582-69-7) is a chemical compound with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2,4-di(propan-2-yl)aniline
Also Known As: 2,4-diisopropyl-5-nitro-aniline, 5-nitro-2,4-di(propan-2-yl)aniline
| Molecular Formula | C12H18N2O2 |
|---|---|
| Molecular Weight | 222.14 g/mol |
| LogP | 3.4238 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.13683 |
| Heavy Atoms | 16 |
| Complexity | 411.72495 |
Chemical Identifiers
| CAS Number | 16582-69-7 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1N)[N+](=O)[O-])C(C)C |
Product Overview
5-Nitro-2,4-di(propan-2-yl)aniline (CAS 16582-69-7), with molecular formula C12H18N2O2 and molecular weight 222.14 g/mol. IUPAC: 5-nitro-2,4-di(propan-2-yl)aniline.
Chemical Property Profile of 5-Nitro-2,4-di(propan-2-yl)aniline
Property Insights of 5-Nitro-2,4-di(propan-2-yl)aniline
The XLogP value of 3.4238 indicates that 5-Nitro-2,4-di(propan-2-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2,4-di(propan-2-yl)aniline. Following Lipinski's Rule of Five, 5-Nitro-2,4-di(propan-2-yl)aniline has 1 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 5-Nitro-2,4-di(propan-2-yl)aniline?
The CAS number of 5-Nitro-2,4-di(propan-2-yl)aniline is 16582-69-7.
What is the molecular formula of 5-Nitro-2,4-di(propan-2-yl)aniline?
The molecular formula of 5-Nitro-2,4-di(propan-2-yl)aniline is C12H18N2O2.
What is the molecular weight of 5-Nitro-2,4-di(propan-2-yl)aniline?
The molecular weight of 5-Nitro-2,4-di(propan-2-yl)aniline is 222.14 g/mol.
Where can I buy 5-Nitro-2,4-di(propan-2-yl)aniline?
You can request a quote for 5-Nitro-2,4-di(propan-2-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2,4-di(propan-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2,4-di(propan-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.