![2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol structure](/static/products/3297/329779-30-8.webp)
2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol
TL;DR: 2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol (CAS 329779-30-8) is a chemical compound with molecular formula C13H11FN2O3 and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluoro-3-nitroanilino)methyl]phenol
Also Known As: 2-{[(4-fluoro-3-nitrophenyl)amino]methyl}phenol, 2-[(4-fluoro-3-nitroanilino)methyl]benzenol, 2-[(4-fluoro-3-nitroanilino)methyl]phenol, 2-[(4-fluoro-3-nitro-anilino)methyl]phenol
| Molecular Formula | C13H11FN2O3 |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.07538 |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 329779-30-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC2=CC(=C(C=C2)F)[N+](=O)[O-])O |
| InChIKey | KQPGBPZGURUYMX-UHFFFAOYSA-N |
Product Overview
2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol (CAS 329779-30-8), with molecular formula C13H11FN2O3 and molecular weight 262.08 g/mol. IUPAC: 2-[(4-fluoro-3-nitroanilino)methyl]phenol.
Chemical Property Profile of 2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol
Property Insights of 2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol
The XLogP value of 3.0 indicates that 2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol. Following Lipinski's Rule of Five, 2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol has 2 hydrogen bond donor(s) and 5 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-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol?
The CAS number of 2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol is 329779-30-8.
What is the molecular formula of 2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol?
The molecular formula of 2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol is C13H11FN2O3.
What is the molecular weight of 2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol?
The molecular weight of 2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol is 262.08 g/mol.
Where can I buy 2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol?
You can request a quote for 2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Fluoro-3-nitrophenyl)amino]methyl}phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.