Benzeneethanamine, 3,5-difluoro-4-hydroxy-
TL;DR: Benzeneethanamine, 3,5-difluoro-4-hydroxy- (CAS 59043-64-0) is a chemical compound with molecular formula C8H9F2NO and molecular weight 173.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-aminoethyl)-2,6-difluorophenol
Also Known As: 4-(2-Aminoethyl)-2,6-difluorophenol, Phenol, 4-(2-aminoethyl)-2,6-difluoro-, 4-(2-Amino-ethyl)-2,6-difluoro-phenol, 4-(2-Aminoethyl)-2,6-difluorophenol #, Benzeneethanamine, 3,5-difluoro-4-hydroxy-
| Molecular Formula | C8H9F2NO |
|---|---|
| Molecular Weight | 173.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.06522 |
| Heavy Atoms | 12 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 59043-64-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1F)O)F)CCN |
| InChIKey | XUEXXOCTTTWZBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneethanamine, 3,5-difluoro-4-hydroxy- (CAS 59043-64-0), with molecular formula C8H9F2NO and molecular weight 173.07 g/mol. IUPAC: 4-(2-aminoethyl)-2,6-difluorophenol.
Chemical Property Profile of Benzeneethanamine, 3,5-difluoro-4-hydroxy-
Property Insights of Benzeneethanamine, 3,5-difluoro-4-hydroxy-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanamine, 3,5-difluoro-4-hydroxy-. With a topological polar surface area (TPSA) of 46.3 Ų, Benzeneethanamine, 3,5-difluoro-4-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanamine, 3,5-difluoro-4-hydroxy- has 2 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 Benzeneethanamine, 3,5-difluoro-4-hydroxy-?
The CAS number of Benzeneethanamine, 3,5-difluoro-4-hydroxy- is 59043-64-0.
What is the molecular formula of Benzeneethanamine, 3,5-difluoro-4-hydroxy-?
The molecular formula of Benzeneethanamine, 3,5-difluoro-4-hydroxy- is C8H9F2NO.
What is the molecular weight of Benzeneethanamine, 3,5-difluoro-4-hydroxy-?
The molecular weight of Benzeneethanamine, 3,5-difluoro-4-hydroxy- is 173.07 g/mol.
Where can I buy Benzeneethanamine, 3,5-difluoro-4-hydroxy-?
You can request a quote for Benzeneethanamine, 3,5-difluoro-4-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanamine, 3,5-difluoro-4-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanamine, 3,5-difluoro-4-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.