Flubichin methanesulfonate
TL;DR: Flubichin methanesulfonate (CAS 139055-77-9) is a chemical compound with molecular formula C23H20F2N2O5S and molecular weight 474.1061 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[4-(2,4-difluorophenyl)phenoxy]ethyl]quinazolin-4-one;methanesulfonic acid
Also Known As: Flubichin methanesulfonate, 4(3H)-Quinazolinone, 3-[2-[(2',4'-difluoro[1,1'-biphenyl]-4-yl)oxy]ethyl]-, monomethanesulfonate, 3-[2-[4-(2,4-difluorophenyl)phenoxy]ethyl]quinazolin-4-one; methanesulfonic acid
Technical Specifications
| Molecular Formula | C23H20F2N2O5S |
| Molecular Weight | 474.1061 g/mol |
| XLogP | 3.9247 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.1061 Da |
| Heavy Atoms | 33 |
| Complexity | 657.0 |
| SMILES | CS(=O)(=O)O.C1=CC=C2C(=C1)C(=O)N(C=N2)CCOC3=CC=C(C=C3)C4=C(C=C(C=C4)F)F |
| InChIKey | HCKNEADNJMXHHW-UHFFFAOYSA-N |
Chemical Property Profile of Flubichin methanesulfonate
Property Insights of Flubichin methanesulfonate
The XLogP value of 3.9247 indicates that Flubichin methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Flubichin methanesulfonate. Following Lipinski's Rule of Five, Flubichin methanesulfonate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Flubichin methanesulfonate?
The CAS number of Flubichin methanesulfonate is 139055-77-9.
What is the molecular formula of Flubichin methanesulfonate?
The molecular formula of Flubichin methanesulfonate is C23H20F2N2O5S.
What is the molecular weight of Flubichin methanesulfonate?
The molecular weight of Flubichin methanesulfonate is 474.1061 g/mol.
Where can I buy Flubichin methanesulfonate?
You can request a quote for Flubichin methanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Flubichin methanesulfonate?
Yes, CoreyChem provides custom synthesis services for Flubichin methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.