![4-Bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol structure](/static/products/4168/416865-40-2.webp)
4-Bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol
TL;DR: 4-Bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol (CAS 416865-40-2) is a chemical compound with molecular formula C13H10BrClFNO and molecular weight 328.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-[(3-chloro-4-fluoroanilino)methyl]phenol
Also Known As: 4-bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol, 4-bromo-2-[(3-chloro-4-fluoroanilino)methyl]phenol, 4-bromo-2-[(3-chloro-4-fluoroanilino)methyl]benzenol, 4-bromo-2-[[(3-chloro-4-fluoro-phenyl)amino]methyl]phenol
| Molecular Formula | C13H10BrClFNO |
|---|---|
| Molecular Weight | 328.96 g/mol |
| LogP | 4.5593 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.96182 |
| Heavy Atoms | 18 |
| Complexity | 576.91284 |
Chemical Identifiers
| CAS Number | 416865-40-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1NCC2=C(C=CC(=C2)Br)O)Cl)F |
Product Overview
4-Bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol (CAS 416865-40-2), with molecular formula C13H10BrClFNO and molecular weight 328.96 g/mol. IUPAC: 4-bromo-2-[(3-chloro-4-fluoroanilino)methyl]phenol.
Chemical Property Profile of 4-Bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol
Property Insights of 4-Bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol
The XLogP value of 4.5593 indicates that 4-Bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, 4-Bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol has 2 hydrogen bond donor(s) and 2 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-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol?
The CAS number of 4-Bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol is 416865-40-2.
What is the molecular formula of 4-Bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol?
The molecular formula of 4-Bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol is C13H10BrClFNO.
What is the molecular weight of 4-Bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol?
The molecular weight of 4-Bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol is 328.96 g/mol.
Where can I buy 4-Bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol?
You can request a quote for 4-Bromo-2-{[(3-chloro-4-fluorophenyl)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 4-Bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-{[(3-chloro-4-fluorophenyl)amino]methyl}phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.