(E)-beta-Fluoromethylene-m-tyramine
TL;DR: (E)-beta-Fluoromethylene-m-tyramine (CAS 85278-68-8) is a chemical compound with molecular formula C9H10FNO and molecular weight 167.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol
Also Known As: Mdl 72392, (E)-beta-Fluoromethylene-m-tyramine, 3-(1-Aminomethyl-2-fluoroethenyl)phenol, 3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol, 3-(3-amino-1-fluoroprop-1-en-2-yl)phenol
| Molecular Formula | C9H10FNO |
|---|---|
| Molecular Weight | 167.07 g/mol |
| LogP | 1.6613 |
| Topological Polar Surface Area | 46.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.07465 |
| Heavy Atoms | 12 |
| Complexity | 296.33493 |
Chemical Identifiers
| CAS Number | 85278-68-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)/C(=C\F)/CN |
Product Overview
(E)-beta-Fluoromethylene-m-tyramine (CAS 85278-68-8), with molecular formula C9H10FNO and molecular weight 167.07 g/mol. IUPAC: 3-[(E)-3-amino-1-fluoroprop-1-en-2-yl]phenol.
Chemical Property Profile of (E)-beta-Fluoromethylene-m-tyramine
Property Insights of (E)-beta-Fluoromethylene-m-tyramine
The XLogP value of 1.6613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-beta-Fluoromethylene-m-tyramine. With a topological polar surface area (TPSA) of 46.25 Ų, (E)-beta-Fluoromethylene-m-tyramine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-beta-Fluoromethylene-m-tyramine 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 (E)-beta-Fluoromethylene-m-tyramine?
The CAS number of (E)-beta-Fluoromethylene-m-tyramine is 85278-68-8.
What is the molecular formula of (E)-beta-Fluoromethylene-m-tyramine?
The molecular formula of (E)-beta-Fluoromethylene-m-tyramine is C9H10FNO.
What is the molecular weight of (E)-beta-Fluoromethylene-m-tyramine?
The molecular weight of (E)-beta-Fluoromethylene-m-tyramine is 167.07 g/mol.
Where can I buy (E)-beta-Fluoromethylene-m-tyramine?
You can request a quote for (E)-beta-Fluoromethylene-m-tyramine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-beta-Fluoromethylene-m-tyramine?
Yes, KEHONG BIO provides custom synthesis services for (E)-beta-Fluoromethylene-m-tyramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.