3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate
TL;DR: 3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate (CAS 869080-78-4) is a chemical compound with molecular formula C18H16O7S and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,4-dimethoxyphenyl)-2-oxochromen-7-yl] methanesulfonate
Also Known As: 3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate, AB01327979-02, [3-(3,4-dimethoxyphenyl)-2-oxochromen-7-yl] methanesulfonate, F1862-0575, 3-(3,4-dimethoxyphenyl)-2-oxochromen-7-yl methylsulfonate
| Molecular Formula | C18H16O7S |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 2.8156 |
| Topological Polar Surface Area | 92.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.06168 |
| Heavy Atoms | 26 |
| Complexity | 1129.9751 |
Chemical Identifiers
| CAS Number | 869080-78-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CC3=C(C=C(C=C3)OS(=O)(=O)C)OC2=O)OC |
Product Overview
3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate (CAS 869080-78-4), with molecular formula C18H16O7S and molecular weight 376.06 g/mol. IUPAC: [3-(3,4-dimethoxyphenyl)-2-oxochromen-7-yl] methanesulfonate.
Chemical Property Profile of 3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate
Property Insights of 3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate
The XLogP value of 2.8156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate. The TPSA of 92.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate. Following Lipinski's Rule of Five, 3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate has 0 hydrogen bond donor(s) and 7 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-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate?
The CAS number of 3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate is 869080-78-4.
What is the molecular formula of 3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate?
The molecular formula of 3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate is C18H16O7S.
What is the molecular weight of 3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate?
The molecular weight of 3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate is 376.06 g/mol.
Where can I buy 3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate?
You can request a quote for 3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.