3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate
TL;DR: 3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate (CAS 849-64-9) is a chemical compound with molecular formula C16H12O5S and molecular weight 316.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-oxochromen-2-yl)phenyl] methanesulfonate
Also Known As: 3'-Methansulfonyloxy-flavon, [3-(4-oxochromen-2-yl)phenyl] methanesulfonate, 3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate, 3-(4-Oxo-4H-1-benzopyran-2-yl)phenyl methanesulfonate
| Molecular Formula | C16H12O5S |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.04056 |
| Heavy Atoms | 22 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 849-64-9 |
|---|---|
| SMILES | CS(=O)(=O)OC1=CC=CC(=C1)C2=CC(=O)C3=CC=CC=C3O2 |
| InChIKey | SQPVHYUANGPFFY-UHFFFAOYSA-N |
Product Overview
3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate (CAS 849-64-9), with molecular formula C16H12O5S and molecular weight 316.04 g/mol. IUPAC: [3-(4-oxochromen-2-yl)phenyl] methanesulfonate.
Chemical Property Profile of 3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate
Property Insights of 3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate
The XLogP value of 3.1 indicates that 3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate. Following Lipinski's Rule of Five, 3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate 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 3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate?
The CAS number of 3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate is 849-64-9.
What is the molecular formula of 3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate?
The molecular formula of 3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate is C16H12O5S.
What is the molecular weight of 3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate?
The molecular weight of 3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate is 316.04 g/mol.
Where can I buy 3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate?
You can request a quote for 3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-oxo-4H-chromen-2-yl)phenyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.