3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one
TL;DR: 3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one (CAS 127073-90-9) is a chemical compound with molecular formula C18H16O5 and molecular weight 312.09976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one
Also Known As: 3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one, 3-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one, 3-(3',4'-Dimethoxyphenyl)-7-methoxycoumarin, 3-(3,4-Dimethoxyphenyl)-7-methoxycoumarin, NCI60_029570
Technical Specifications
| Molecular Formula | C18H16O5 |
| Molecular Weight | 312.09976 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.09976 Da |
| Heavy Atoms | 23 |
| Complexity | 460.0 |
| SMILES | COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC(=C(C=C3)OC)OC |
| InChIKey | XJMBKKMQJONPPZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one
Property Insights of 3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one
The XLogP value of 3.5 indicates that 3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one 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
What is the CAS number of 3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one?
The CAS number of 3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one is 127073-90-9.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one is C18H16O5.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one is 312.09976 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one?
Yes, CoreyChem provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-7-methoxy-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.