Etarotene
TL;DR: Etarotene (CAS 87719-32-2) is a chemical compound with molecular formula C25H32O2S and molecular weight 396.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[1-(4-ethylsulfonylphenyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
Also Known As: Etarotene
| Molecular Formula | C25H32O2S |
|---|---|
| Molecular Weight | 396.21 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.2123 |
| Heavy Atoms | 28 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 87719-32-2 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC=C(C=C1)C=C(C)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C |
| InChIKey | UDAZCXVIYSIEFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Etarotene (CAS 87719-32-2), with molecular formula C25H32O2S and molecular weight 396.21 g/mol. IUPAC: 6-[1-(4-ethylsulfonylphenyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.
Chemical Property Profile of Etarotene
Property Insights of Etarotene
The XLogP value of 7.5 indicates that Etarotene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, Etarotene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Etarotene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Etarotene?
The CAS number of Etarotene is 87719-32-2.
What is the molecular formula of Etarotene?
The molecular formula of Etarotene is C25H32O2S.
What is the molecular weight of Etarotene?
The molecular weight of Etarotene is 396.21 g/mol.
Where can I buy Etarotene?
You can request a quote for Etarotene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etarotene?
Yes, KEHONG BIO provides custom synthesis services for Etarotene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.