1-Fluorohexestrol
TL;DR: 1-Fluorohexestrol (CAS 74536-79-1) 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.
4-[6-fluoro-4-(4-hydroxyphenyl)hexan-3-yl]phenol
Also Known As: 1-Fluorohexestrol, 1-Fluoro-3,4-bis(4-hydroxyphenyl)hexane, 4,4'-(1-Fluorohexane-3,4-diyl)diphenol, 4-[6-fluoro-4-(4-hydroxyphenyl)hexan-3-yl]phenol, erythro-1-fluoro-3,4-bis(4-hydroxyphenyl)hexane
| Molecular Formula | C18H21FO2 |
|---|---|
| Molecular Weight | 288.15 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.15256 |
| Heavy Atoms | 21 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 74536-79-1 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)O)C(CCF)C2=CC=C(C=C2)O |
| InChIKey | WJHRTUIAPLGNMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Fluorohexestrol (CAS 74536-79-1), with molecular formula C18H21FO2 and molecular weight 288.15 g/mol. IUPAC: 4-[6-fluoro-4-(4-hydroxyphenyl)hexan-3-yl]phenol.
Chemical Property Profile of 1-Fluorohexestrol
Property Insights of 1-Fluorohexestrol
The XLogP value of 4.8 indicates that 1-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, 1-Fluorohexestrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluorohexestrol 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 1-Fluorohexestrol?
The CAS number of 1-Fluorohexestrol is 74536-79-1.
What is the molecular formula of 1-Fluorohexestrol?
The molecular formula of 1-Fluorohexestrol is C18H21FO2.
What is the molecular weight of 1-Fluorohexestrol?
The molecular weight of 1-Fluorohexestrol is 288.15 g/mol.
Where can I buy 1-Fluorohexestrol?
You can request a quote for 1-Fluorohexestrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Fluorohexestrol?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluorohexestrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.