![4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol structure](/static/products/868/868256-55-7.png)
4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol
TL;DR: 4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol (CAS 868256-55-7) is a chemical compound with molecular formula C14H13BrN2O4 and molecular weight 352.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol
Also Known As: 4-bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol, 4-bromo-2-[(2-methoxy-5-nitroanilino)methyl]benzenol, 4-bromo-2-{[(2-methoxy-5-nitrophenyl)amino]methyl}phenol, 4-bromo-2-[[(2-methoxy-5-nitro-phenyl)amino]methyl]phenol
| Molecular Formula | C14H13BrN2O4 |
|---|---|
| Molecular Weight | 352.01 g/mol |
| LogP | 3.6836 |
| Topological Polar Surface Area | 84.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.00586 |
| Heavy Atoms | 21 |
| Complexity | 676.01874 |
Chemical Identifiers
| CAS Number | 868256-55-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=C(C=CC(=C2)Br)O |
Product Overview
4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol (CAS 868256-55-7), with molecular formula C14H13BrN2O4 and molecular weight 352.01 g/mol. IUPAC: 4-bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol.
Chemical Property Profile of 4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol
Property Insights of 4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol
The XLogP value of 3.6836 indicates that 4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol. Following Lipinski's Rule of Five, 4-Bromo-2-[(2-methoxy-5-nitroanilino)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 4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol?
The CAS number of 4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol is 868256-55-7.
What is the molecular formula of 4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol?
The molecular formula of 4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol is C14H13BrN2O4.
What is the molecular weight of 4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol?
The molecular weight of 4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol is 352.01 g/mol.
Where can I buy 4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol?
You can request a quote for 4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-[(2-methoxy-5-nitroanilino)methyl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.