N-Desmethyl 4-hydroxy toremifene
TL;DR: N-Desmethyl 4-hydroxy toremifene (CAS 125618-41-9) is a chemical compound with molecular formula C25H26ClNO2 and molecular weight 407.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-chloro-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
Also Known As: N-DESMETHYL 4-HYDROXY TOREMIFENE
| Molecular Formula | C25H26ClNO2 |
|---|---|
| Molecular Weight | 407.17 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 407.1652 |
| Heavy Atoms | 29 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 125618-41-9 |
|---|---|
| SMILES | CNCCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=C(C=C3)O |
| InChIKey | TYAXQZQJKSMYBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Desmethyl 4-hydroxy toremifene (CAS 125618-41-9), with molecular formula C25H26ClNO2 and molecular weight 407.17 g/mol. IUPAC: 4-[4-chloro-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol.
Chemical Property Profile of N-Desmethyl 4-hydroxy toremifene
Property Insights of N-Desmethyl 4-hydroxy toremifene
The XLogP value of 6.4 indicates that N-Desmethyl 4-hydroxy toremifene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, N-Desmethyl 4-hydroxy toremifene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Desmethyl 4-hydroxy toremifene 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 N-Desmethyl 4-hydroxy toremifene?
The CAS number of N-Desmethyl 4-hydroxy toremifene is 125618-41-9.
What is the molecular formula of N-Desmethyl 4-hydroxy toremifene?
The molecular formula of N-Desmethyl 4-hydroxy toremifene is C25H26ClNO2.
What is the molecular weight of N-Desmethyl 4-hydroxy toremifene?
The molecular weight of N-Desmethyl 4-hydroxy toremifene is 407.17 g/mol.
Where can I buy N-Desmethyl 4-hydroxy toremifene?
You can request a quote for N-Desmethyl 4-hydroxy toremifene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethyl 4-hydroxy toremifene?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethyl 4-hydroxy toremifene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.