2-oxo-3-phenyl-2H-chromen-7-yl benzenesulfonate
TL;DR: 2-oxo-3-phenyl-2H-chromen-7-yl benzenesulfonate (CAS 896039-81-9) is a chemical compound with molecular formula C21H14O5S and molecular weight 378.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-3-phenylchromen-7-yl) benzenesulfonate
Also Known As: 2-oxo-3-phenyl-2H-chromen-7-yl benzenesulfonate, (2-oxo-3-phenylchromen-7-yl) benzenesulfonate, 2-oxo-3-phenylchromen-7-yl benzenesulfonate, AB01332361-02, F1862-0609
| Molecular Formula | C21H14O5S |
|---|---|
| Molecular Weight | 378.06 g/mol |
| LogP | 4.2277 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.05618 |
| Heavy Atoms | 27 |
| Complexity | 1260.4722 |
Chemical Identifiers
| CAS Number | 896039-81-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)OC2=O |
Product Overview
2-oxo-3-phenyl-2H-chromen-7-yl benzenesulfonate (CAS 896039-81-9), with molecular formula C21H14O5S and molecular weight 378.06 g/mol. IUPAC: (2-oxo-3-phenylchromen-7-yl) benzenesulfonate.
Chemical Property Profile of 2-oxo-3-phenyl-2H-chromen-7-yl benzenesulfonate
Property Insights of 2-oxo-3-phenyl-2H-chromen-7-yl benzenesulfonate
The XLogP value of 4.2277 indicates that 2-oxo-3-phenyl-2H-chromen-7-yl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-3-phenyl-2H-chromen-7-yl benzenesulfonate. Following Lipinski's Rule of Five, 2-oxo-3-phenyl-2H-chromen-7-yl benzenesulfonate has 0 hydrogen bond donor(s) and 5 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 benzenesulfonate?
The CAS number of 2-oxo-3-phenyl-2H-chromen-7-yl benzenesulfonate is 896039-81-9.
What is the molecular formula of 2-oxo-3-phenyl-2H-chromen-7-yl benzenesulfonate?
The molecular formula of 2-oxo-3-phenyl-2H-chromen-7-yl benzenesulfonate is C21H14O5S.
What is the molecular weight of 2-oxo-3-phenyl-2H-chromen-7-yl benzenesulfonate?
The molecular weight of 2-oxo-3-phenyl-2H-chromen-7-yl benzenesulfonate is 378.06 g/mol.
Where can I buy 2-oxo-3-phenyl-2H-chromen-7-yl benzenesulfonate?
You can request a quote for 2-oxo-3-phenyl-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 2-oxo-3-phenyl-2H-chromen-7-yl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-3-phenyl-2H-chromen-7-yl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.