4-Isopropyl-2-nitroaniline
TL;DR: 4-Isopropyl-2-nitroaniline (CAS 63649-64-9) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-4-propan-2-ylaniline
Also Known As: 4-Isopropyl-2-nitroaniline, Nitrocumidin, 2-nitro-4-propan-2-ylaniline, 2-nitro-4-(propan-2-yl)aniline, 2-Nitro-4-isopropylaniline
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 2.3004 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 334.38663 |
Chemical Identifiers
| CAS Number | 63649-64-9 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1)N)[N+](=O)[O-] |
Product Overview
4-Isopropyl-2-nitroaniline (CAS 63649-64-9), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: 2-nitro-4-propan-2-ylaniline.
Chemical Property Profile of 4-Isopropyl-2-nitroaniline
Property Insights of 4-Isopropyl-2-nitroaniline
The XLogP value of 2.3004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropyl-2-nitroaniline. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isopropyl-2-nitroaniline. Following Lipinski's Rule of Five, 4-Isopropyl-2-nitroaniline 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 4-Isopropyl-2-nitroaniline?
The CAS number of 4-Isopropyl-2-nitroaniline is 63649-64-9.
What is the molecular formula of 4-Isopropyl-2-nitroaniline?
The molecular formula of 4-Isopropyl-2-nitroaniline is C9H12N2O2.
What is the molecular weight of 4-Isopropyl-2-nitroaniline?
The molecular weight of 4-Isopropyl-2-nitroaniline is 180.09 g/mol.
Where can I buy 4-Isopropyl-2-nitroaniline?
You can request a quote for 4-Isopropyl-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropyl-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.