Fantofarone
TL;DR: Fantofarone (CAS 114432-13-2) is a chemical compound with molecular formula C31H38N2O5S and molecular weight 550.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine
Also Known As: Fantofarone, Fantofarona, Fantofaronum, Fantofarone?, Fantofaronum [INN-Latin]
| Molecular Formula | C31H38N2O5S |
|---|---|
| Molecular Weight | 550.25 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 550.2501 |
| Heavy Atoms | 39 |
| Complexity | 825.0 |
Chemical Identifiers
| CAS Number | 114432-13-2 |
|---|---|
| SMILES | CC(C)C1=CN2C=CC=CC2=C1S(=O)(=O)C3=CC=C(C=C3)OCCCN(C)CCC4=CC(=C(C=C4)OC)OC |
| InChIKey | ITAMRBIZWGDOHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fantofarone (CAS 114432-13-2), with molecular formula C31H38N2O5S and molecular weight 550.25 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine.
Chemical Property Profile of Fantofarone
Property Insights of Fantofarone
The XLogP value of 6.7 indicates that Fantofarone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Fantofarone. Following Lipinski's Rule of Five, Fantofarone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fantofarone?
The CAS number of Fantofarone is 114432-13-2.
What is the molecular formula of Fantofarone?
The molecular formula of Fantofarone is C31H38N2O5S.
What is the molecular weight of Fantofarone?
The molecular weight of Fantofarone is 550.25 g/mol.
Where can I buy Fantofarone?
You can request a quote for Fantofarone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fantofarone?
Yes, KEHONG BIO provides custom synthesis services for Fantofarone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.