Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl-
TL;DR: Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl- (CAS 451-04-7) is a chemical compound with molecular formula C11H16FNO and molecular weight 197.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-fluorophenyl)-2-(propan-2-ylamino)ethanol
Also Known As: 1-(3-fluorophenyl)-2-(propan-2-ylamino)ethanol, benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl-
| Molecular Formula | C11H16FNO |
|---|---|
| Molecular Weight | 197.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.1216 |
| Heavy Atoms | 14 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 451-04-7 |
|---|---|
| SMILES | CC(C)NCC(C1=CC(=CC=C1)F)O |
| InChIKey | IDAZVHMZFWXZDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl- (CAS 451-04-7), with molecular formula C11H16FNO and molecular weight 197.12 g/mol. IUPAC: 1-(3-fluorophenyl)-2-(propan-2-ylamino)ethanol.
Chemical Property Profile of Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl-
Property Insights of Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl-. With a topological polar surface area (TPSA) of 32.3 Ų, Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl- has 2 hydrogen bond donor(s) and 3 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 Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl-?
The CAS number of Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl- is 451-04-7.
What is the molecular formula of Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl-?
The molecular formula of Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl- is C11H16FNO.
What is the molecular weight of Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl-?
The molecular weight of Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl- is 197.12 g/mol.
Where can I buy Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl-?
You can request a quote for Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-fluoro-3-(1-hydroxy-2-isopropylamino)ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.