3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate
TL;DR: 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate (CAS 896039-87-5) is a chemical compound with molecular formula C22H16O6S and molecular weight 408.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-methoxyphenyl)-2-oxochromen-7-yl] benzenesulfonate
Also Known As: 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate, AB01332351-02, [3-(4-methoxyphenyl)-2-oxochromen-7-yl] benzenesulfonate, 3-(4-methoxyphenyl)-2-oxochromen-7-yl benzenesulfonate, F1862-0614
| Molecular Formula | C22H16O6S |
|---|---|
| Molecular Weight | 408.07 g/mol |
| LogP | 4.2363 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.06677 |
| Heavy Atoms | 29 |
| Complexity | 1323.6061 |
Chemical Identifiers
| CAS Number | 896039-87-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)OC2=O |
Product Overview
3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate (CAS 896039-87-5), with molecular formula C22H16O6S and molecular weight 408.07 g/mol. IUPAC: [3-(4-methoxyphenyl)-2-oxochromen-7-yl] benzenesulfonate.
Chemical Property Profile of 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate
Property Insights of 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate
The XLogP value of 4.2363 indicates that 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate 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-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate 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-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate?
The CAS number of 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate is 896039-87-5.
What is the molecular formula of 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate?
The molecular formula of 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate is C22H16O6S.
What is the molecular weight of 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate?
The molecular weight of 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate is 408.07 g/mol.
Where can I buy 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate?
You can request a quote for 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.