4-Hydroxytoremifene
TL;DR: 4-Hydroxytoremifene (CAS 110503-85-0) is a chemical compound with molecular formula C26H28ClNO2 and molecular weight 421.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-4-chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
Also Known As: 4-Hydroxytoremifene, 4-Hydroxy Toremifene, (Z)-4-Hydroxytoremifene, Toremifene impurity 7, 4-HYDROXYTORMIFENE
| Molecular Formula | C26H28ClNO2 |
|---|---|
| Molecular Weight | 421.18 g/mol |
| LogP | 5.9206 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 421.18085 |
| Heavy Atoms | 30 |
| Complexity | 948.5885 |
Chemical Identifiers
| CAS Number | 110503-85-0 |
|---|---|
| SMILES | CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=C(C=C3)O |
Product Overview
4-Hydroxytoremifene (CAS 110503-85-0), with molecular formula C26H28ClNO2 and molecular weight 421.18 g/mol. IUPAC: 4-[(Z)-4-chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol.
Chemical Property Profile of 4-Hydroxytoremifene
Property Insights of 4-Hydroxytoremifene
The XLogP value of 5.9206 indicates that 4-Hydroxytoremifene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 4-Hydroxytoremifene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxytoremifene has 1 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 4-Hydroxytoremifene?
The CAS number of 4-Hydroxytoremifene is 110503-85-0.
What is the molecular formula of 4-Hydroxytoremifene?
The molecular formula of 4-Hydroxytoremifene is C26H28ClNO2.
What is the molecular weight of 4-Hydroxytoremifene?
The molecular weight of 4-Hydroxytoremifene is 421.18 g/mol.
Where can I buy 4-Hydroxytoremifene?
You can request a quote for 4-Hydroxytoremifene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxytoremifene?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxytoremifene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.