2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzene-1-sulfonate
TL;DR: 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzene-1-sulfonate (CAS 331460-89-0) is a chemical compound with molecular formula C22H15ClO6S and molecular weight 442.03 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] 4-chlorobenzenesulfonate
Also Known As: 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzene-1-sulfonate, [2-(4-methoxyphenyl)-4-oxochromen-3-yl] 4-chlorobenzenesulfonate, 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzenesulfonate, 3-(4-chlorophenyl)sulfonyloxy-2-(4-methoxyphenyl)chromen-4-one, 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl4-chlorobenzene-1-sulfonate
| Molecular Formula | C22H15ClO6S |
|---|---|
| Molecular Weight | 442.03 g/mol |
| LogP | 4.8897 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.0278 |
| Heavy Atoms | 30 |
| Complexity | 1374.3315 |
Chemical Identifiers
| CAS Number | 331460-89-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OS(=O)(=O)C4=CC=C(C=C4)Cl |
Product Overview
2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzene-1-sulfonate (CAS 331460-89-0), with molecular formula C22H15ClO6S and molecular weight 442.03 g/mol. IUPAC: [2-(4-methoxyphenyl)-4-oxochromen-3-yl] 4-chlorobenzenesulfonate.
Chemical Property Profile of 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzene-1-sulfonate
Property Insights of 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzene-1-sulfonate
The XLogP value of 4.8897 indicates that 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzene-1-sulfonate 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-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzene-1-sulfonate. Following Lipinski's Rule of Five, 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzene-1-sulfonate 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 4-chlorobenzene-1-sulfonate?
The CAS number of 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzene-1-sulfonate is 331460-89-0.
What is the molecular formula of 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzene-1-sulfonate?
The molecular formula of 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzene-1-sulfonate is C22H15ClO6S.
What is the molecular weight of 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzene-1-sulfonate?
The molecular weight of 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzene-1-sulfonate is 442.03 g/mol.
Where can I buy 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzene-1-sulfonate?
You can request a quote for 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzene-1-sulfonate 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 4-chlorobenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 4-chlorobenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.