etretinate
TL;DR: etretinate (CAS 54350-48-0) is a chemical compound with molecular formula C23H30O3 and molecular weight 354.21948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
Also Known As: etretinate, phenytoin, Tegison, Tigason, Etretinate-d3
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H30O3 |
| Molecular Weight | 354.21948 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.21948 Da |
| Heavy Atoms | 26 |
| Complexity | 568.0 |
| SMILES | CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C(=C(C=C1C)OC)C)C |
| InChIKey | HQMNCQVAMBCHCO-UHFFFAOYSA-N |
Product Description
Applications: etretinate is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, etretinate (CAS 54350-48-0) has the molecular formula C23H30O3 and a molecular weight of 354.22 g/mol. Synonyms include etretinate and phenytoin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of etretinate
Property Insights of etretinate
The XLogP value of 6.8 indicates that etretinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, etretinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, etretinate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of etretinate?
The CAS number of etretinate is 54350-48-0.
What is the molecular formula of etretinate?
The molecular formula of etretinate is C23H30O3.
What is the molecular weight of etretinate?
The molecular weight of etretinate is 354.21948 g/mol.
What are the applications of etretinate?
etretinate is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy etretinate?
You can request a quote for etretinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for etretinate?
Yes, CoreyChem provides custom synthesis services for etretinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.