2-Fluorohexestrol
TL;DR: 2-Fluorohexestrol (CAS 5459-27-8) is a chemical compound with molecular formula C18H21FO2 and molecular weight 288.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol
Also Known As: 2-Fluorohexestrol, ortho-Fluorohexestrol, 2-fluoro-4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol
| Molecular Formula | C18H21FO2 |
|---|---|
| Molecular Weight | 288.15 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.15256 |
| Heavy Atoms | 21 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 5459-27-8 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)O)C(CC)C2=CC(=C(C=C2)O)F |
| InChIKey | ILINIAJBGBCWBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluorohexestrol (CAS 5459-27-8), with molecular formula C18H21FO2 and molecular weight 288.15 g/mol. IUPAC: 2-fluoro-4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol.
Chemical Property Profile of 2-Fluorohexestrol
Property Insights of 2-Fluorohexestrol
The XLogP value of 5.3 indicates that 2-Fluorohexestrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Fluorohexestrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluorohexestrol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Fluorohexestrol?
The CAS number of 2-Fluorohexestrol is 5459-27-8.
What is the molecular formula of 2-Fluorohexestrol?
The molecular formula of 2-Fluorohexestrol is C18H21FO2.
What is the molecular weight of 2-Fluorohexestrol?
The molecular weight of 2-Fluorohexestrol is 288.15 g/mol.
Where can I buy 2-Fluorohexestrol?
You can request a quote for 2-Fluorohexestrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluorohexestrol?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluorohexestrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.