2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate
TL;DR: 2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate (CAS 896040-16-7) 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.
(2-oxo-3-phenylchromen-7-yl) 4-methoxybenzenesulfonate
Also Known As: 2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate, AB01332358-02, (2-oxo-3-phenylchromen-7-yl) 4-methoxybenzenesulfonate, 2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzene-1-sulfonate, 2-oxo-3-phenylchromen-7-yl 4-methoxybenzenesulfonate
| 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 | 896040-16-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=CC=C4 |
Product Overview
2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate (CAS 896040-16-7), with molecular formula C22H16O6S and molecular weight 408.07 g/mol. IUPAC: (2-oxo-3-phenylchromen-7-yl) 4-methoxybenzenesulfonate.
Chemical Property Profile of 2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate
Property Insights of 2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate
The XLogP value of 4.2363 indicates that 2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate 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 2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate. Following Lipinski's Rule of Five, 2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate 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-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate?
The CAS number of 2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate is 896040-16-7.
What is the molecular formula of 2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate?
The molecular formula of 2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate is C22H16O6S.
What is the molecular weight of 2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate?
The molecular weight of 2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate is 408.07 g/mol.
Where can I buy 2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate?
You can request a quote for 2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-3-phenyl-2H-chromen-7-yl 4-methoxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.