3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate
TL;DR: 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate (CAS 315715-63-0) is a chemical compound with molecular formula C18H13F3O6S and molecular weight 414.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] methanesulfonate
Also Known As: 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate, VU0263545-2, AF-399/41883849, [3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] methanesulfonate, F3139-1152
| Molecular Formula | C18H13F3O6S |
|---|---|
| Molecular Weight | 414.04 g/mol |
| LogP | 3.8258 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.03848 |
| Heavy Atoms | 28 |
| Complexity | 1212.1985 |
Chemical Identifiers
| CAS Number | 315715-63-0 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)OS(=O)(=O)C)C(F)(F)F |
Product Overview
3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate (CAS 315715-63-0), with molecular formula C18H13F3O6S and molecular weight 414.04 g/mol. IUPAC: [3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] methanesulfonate.
Chemical Property Profile of 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate
Property Insights of 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate
The XLogP value of 3.8258 indicates that 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate. Following Lipinski's Rule of Five, 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate has 0 hydrogen bond donor(s) and 6 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 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate?
The CAS number of 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate is 315715-63-0.
What is the molecular formula of 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate?
The molecular formula of 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate is C18H13F3O6S.
What is the molecular weight of 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate?
The molecular weight of 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate is 414.04 g/mol.
Where can I buy 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate?
You can request a quote for 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.