2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate
TL;DR: 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate (CAS 331460-75-4) is a chemical compound with molecular formula C17H14O6S and molecular weight 346.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methoxyphenyl)-4-oxochromen-3-yl] methanesulfonate
Also Known As: 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate, [2-(4-methoxyphenyl)-4-oxochromen-3-yl] methanesulfonate, AA-768/32245057, 2-(4-methoxyphenyl)-3-methylsulfonyloxy-chromen-4-one, 2-(4-methoxyphenyl)-4-oxochromen-3-yl methanesulfonate
| Molecular Formula | C17H14O6S |
|---|---|
| Molecular Weight | 346.05 g/mol |
| LogP | 2.807 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.05112 |
| Heavy Atoms | 24 |
| Complexity | 1048.6261 |
Chemical Identifiers
| CAS Number | 331460-75-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OS(=O)(=O)C |
Product Overview
2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate (CAS 331460-75-4), with molecular formula C17H14O6S and molecular weight 346.05 g/mol. IUPAC: [2-(4-methoxyphenyl)-4-oxochromen-3-yl] methanesulfonate.
Chemical Property Profile of 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate
Property Insights of 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate
The XLogP value of 2.807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate. The TPSA of 82.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate. Following Lipinski's Rule of Five, 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-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 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate?
The CAS number of 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate is 331460-75-4.
What is the molecular formula of 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate?
The molecular formula of 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate is C17H14O6S.
What is the molecular weight of 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate?
The molecular weight of 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate is 346.05 g/mol.
Where can I buy 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate?
You can request a quote for 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.