2-Nitro-4-phenoxyaniline
TL;DR: 2-Nitro-4-phenoxyaniline (CAS 60854-00-4) is a chemical compound with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-4-phenoxyaniline
Also Known As: 2-nitro-4-phenoxyaniline, 2-nitro-4-phenoxy-aniline, 2-Nitro-5-phenoxy-phenylamine, 2-Nitro-4-phenoxy-phenylamine, Benzenamine, 2-nitro-4-phenoxy-
| Molecular Formula | C12H10N2O3 |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 2.9693 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.06914 |
| Heavy Atoms | 17 |
| Complexity | 540.7019 |
Chemical Identifiers
| CAS Number | 60854-00-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC(=C(C=C2)N)[N+](=O)[O-] |
Product Overview
2-Nitro-4-phenoxyaniline (CAS 60854-00-4), with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol. IUPAC: 2-nitro-4-phenoxyaniline.
Chemical Property Profile of 2-Nitro-4-phenoxyaniline
Property Insights of 2-Nitro-4-phenoxyaniline
The XLogP value of 2.9693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-4-phenoxyaniline. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-4-phenoxyaniline. Following Lipinski's Rule of Five, 2-Nitro-4-phenoxyaniline has 1 hydrogen bond donor(s) and 4 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 2-Nitro-4-phenoxyaniline?
The CAS number of 2-Nitro-4-phenoxyaniline is 60854-00-4.
What is the molecular formula of 2-Nitro-4-phenoxyaniline?
The molecular formula of 2-Nitro-4-phenoxyaniline is C12H10N2O3.
What is the molecular weight of 2-Nitro-4-phenoxyaniline?
The molecular weight of 2-Nitro-4-phenoxyaniline is 230.07 g/mol.
Where can I buy 2-Nitro-4-phenoxyaniline?
You can request a quote for 2-Nitro-4-phenoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-4-phenoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-4-phenoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.