Acrylodan
TL;DR: Acrylodan (CAS 86636-92-2) is a chemical compound with molecular formula C15H15NO and molecular weight 225.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(dimethylamino)naphthalen-2-yl]prop-2-en-1-one
Also Known As: Acrylodan, 6-Acryloyl-2-dimethylaminonaphthalene, Thialbarbital, 1-(6-(Dimethylamino)naphthalen-2-yl)prop-2-en-1-one, 1-[6-(dimethylamino)naphthalen-2-yl]prop-2-en-1-one
| Molecular Formula | C15H15NO |
|---|---|
| Molecular Weight | 225.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.11537 |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 86636-92-2 |
|---|---|
| SMILES | CN(C)C1=CC2=C(C=C1)C=C(C=C2)C(=O)C=C |
| InChIKey | HMWAJFNEGAJETK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acrylodan (CAS 86636-92-2), with molecular formula C15H15NO and molecular weight 225.12 g/mol. IUPAC: 1-[6-(dimethylamino)naphthalen-2-yl]prop-2-en-1-one.
Chemical Property Profile of Acrylodan
Property Insights of Acrylodan
The XLogP value of 3.6 indicates that Acrylodan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, Acrylodan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acrylodan has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acrylodan?
The CAS number of Acrylodan is 86636-92-2.
What is the molecular formula of Acrylodan?
The molecular formula of Acrylodan is C15H15NO.
What is the molecular weight of Acrylodan?
The molecular weight of Acrylodan is 225.12 g/mol.
Where can I buy Acrylodan?
You can request a quote for Acrylodan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrylodan?
Yes, KEHONG BIO provides custom synthesis services for Acrylodan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.