Adarotene
TL;DR: Adarotene (CAS 496868-77-0) is a chemical compound with molecular formula C25H26O3 and molecular weight 374.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-enoic acid
Also Known As: Adarotene, Adarotene [INN], adaroteno, adarotenum, ADAROTENE [WHO-DD]
| Molecular Formula | C25H26O3 |
|---|---|
| Molecular Weight | 374.19 g/mol |
| LogP | 5.6248 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.1882 |
| Heavy Atoms | 28 |
| Complexity | 903.48114 |
Chemical Identifiers
| CAS Number | 496868-77-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC=C(C=C5)/C=C/C(=O)O)O |
Product Overview
Adarotene (CAS 496868-77-0), with molecular formula C25H26O3 and molecular weight 374.19 g/mol. IUPAC: (E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-enoic acid.
Chemical Property Profile of Adarotene
Property Insights of Adarotene
The XLogP value of 5.6248 indicates that Adarotene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, Adarotene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Adarotene has 2 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 Adarotene?
The CAS number of Adarotene is 496868-77-0.
What is the molecular formula of Adarotene?
The molecular formula of Adarotene is C25H26O3.
What is the molecular weight of Adarotene?
The molecular weight of Adarotene is 374.19 g/mol.
Where can I buy Adarotene?
You can request a quote for Adarotene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adarotene?
Yes, KEHONG BIO provides custom synthesis services for Adarotene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.