Ansoxetine
TL;DR: Ansoxetine (CAS 79130-64-6) is a chemical compound with molecular formula C26H25NO3 and molecular weight 399.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[3-(dimethylamino)-1-phenylpropoxy]-2-phenylchromen-4-one
Also Known As: Ansoxetine, Ansoxetina, Ansoxetine [INN], 6-[3-(dimethylamino)-1-phenylpropoxy]-2-phenylchromen-4-one, 6-(3-dimethylamino-1-phenylpropoxy)-2-phenylchromen-4-one
| Molecular Formula | C26H25NO3 |
|---|---|
| Molecular Weight | 399.18 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.18344 |
| Heavy Atoms | 30 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 79130-64-6 |
|---|---|
| SMILES | CN(C)CCC(C1=CC=CC=C1)OC2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CC=C4 |
| InChIKey | JDQWJVUVMKPZLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ansoxetine (CAS 79130-64-6), with molecular formula C26H25NO3 and molecular weight 399.18 g/mol. IUPAC: 6-[3-(dimethylamino)-1-phenylpropoxy]-2-phenylchromen-4-one.
Chemical Property Profile of Ansoxetine
Property Insights of Ansoxetine
The XLogP value of 5.9 indicates that Ansoxetine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Ansoxetine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ansoxetine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ansoxetine?
The CAS number of Ansoxetine is 79130-64-6.
What is the molecular formula of Ansoxetine?
The molecular formula of Ansoxetine is C26H25NO3.
What is the molecular weight of Ansoxetine?
The molecular weight of Ansoxetine is 399.18 g/mol.
Where can I buy Ansoxetine?
You can request a quote for Ansoxetine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ansoxetine?
Yes, KEHONG BIO provides custom synthesis services for Ansoxetine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.