依曲替酯
TL;DR: 依曲替酯 (CAS 54350-48-0) is a chemical compound with molecular formula C23H30O3 and molecular weight 354.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依曲替酯
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
| Molecular Formula | C23H30O3 |
|---|---|
| Molecular Weight | 354.22 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.21948 |
| Heavy Atoms | 26 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 54350-48-0 |
|---|---|
| SMILES | CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C(=C(C=C1C)OC)C)C |
| InChIKey | HQMNCQVAMBCHCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依曲替酯 (CAS 54350-48-0), with molecular formula C23H30O3 and molecular weight 354.22 g/mol. IUPAC: ethyl 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate.
Chemical Property Profile of 依曲替酯
Property Insights of 依曲替酯
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, 依曲替酯 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
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 354.22 g/mol.
Where can I buy etretinate?
You can request a quote for etretinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for etretinate?
Yes, KEHONG BIO provides custom synthesis services for etretinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.