N-Isopropyl 4-fluoro-2-nitroaniline
TL;DR: N-Isopropyl 4-fluoro-2-nitroaniline (CAS 146366-00-9) is a chemical compound with molecular formula C9H11FN2O2 and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-2-nitro-N-propan-2-ylaniline
Also Known As: N-Isopropyl 4-fluoro-2-nitroaniline, n-isopropyl-4-fluoro-2-nitroaniline, 4-fluoro-2-nitro-N-(propan-2-yl)aniline, 4-fluoro-N-isopropyl-2-nitroaniline, 4-fluoro-2-nitro-N-propan-2-ylaniline
| Molecular Formula | C9H11FN2O2 |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 2.5542 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.08046 |
| Heavy Atoms | 14 |
| Complexity | 352.66522 |
Chemical Identifiers
| CAS Number | 146366-00-9 |
|---|---|
| SMILES | CC(C)NC1=C(C=C(C=C1)F)[N+](=O)[O-] |
Product Overview
N-Isopropyl 4-fluoro-2-nitroaniline (CAS 146366-00-9), with molecular formula C9H11FN2O2 and molecular weight 198.08 g/mol. IUPAC: 4-fluoro-2-nitro-N-propan-2-ylaniline.
Chemical Property Profile of N-Isopropyl 4-fluoro-2-nitroaniline
Property Insights of N-Isopropyl 4-fluoro-2-nitroaniline
The XLogP value of 2.5542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Isopropyl 4-fluoro-2-nitroaniline. With a topological polar surface area (TPSA) of 55.17 Ų, N-Isopropyl 4-fluoro-2-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Isopropyl 4-fluoro-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 N-Isopropyl 4-fluoro-2-nitroaniline?
The CAS number of N-Isopropyl 4-fluoro-2-nitroaniline is 146366-00-9.
What is the molecular formula of N-Isopropyl 4-fluoro-2-nitroaniline?
The molecular formula of N-Isopropyl 4-fluoro-2-nitroaniline is C9H11FN2O2.
What is the molecular weight of N-Isopropyl 4-fluoro-2-nitroaniline?
The molecular weight of N-Isopropyl 4-fluoro-2-nitroaniline is 198.08 g/mol.
Where can I buy N-Isopropyl 4-fluoro-2-nitroaniline?
You can request a quote for N-Isopropyl 4-fluoro-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Isopropyl 4-fluoro-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Isopropyl 4-fluoro-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.