Flubichin methanesulfonate
TL;DR: Flubichin methanesulfonate (CAS 139055-77-9) is a chemical compound with molecular formula C23H20F2N2O5S and molecular weight 474.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C23H20F2N2O5S |
|---|---|
| Molecular Weight | 474.11 g/mol |
| LogP | 3.9247 |
| Topological Polar Surface Area | 98.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.1061 |
| Heavy Atoms | 33 |
| Complexity | 1413.2438 |
Chemical Identifiers
| CAS Number | 139055-77-9 |
|---|---|
| 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 |
Product Overview
Flubichin methanesulfonate (CAS 139055-77-9), with molecular formula C23H20F2N2O5S and molecular weight 474.11 g/mol. IUPAC: 3-[2-[4-(2,4-difluorophenyl)phenoxy]ethyl]quinazolin-4-one;methanesulfonic acid.
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 98.49 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 5 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 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 474.11 g/mol.
Where can I buy Flubichin methanesulfonate?
You can request a quote for Flubichin methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flubichin methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Flubichin methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.