3-(3-Methoxy-4-sulfooxyphenyl)prop-2-enoic acid
TL;DR: 3-(3-Methoxy-4-sulfooxyphenyl)prop-2-enoic acid (CAS 151481-53-7) is a chemical compound with molecular formula C10H10O7S and molecular weight 274.0147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-methoxy-4-sulfooxyphenyl)prop-2-enoic acid
Also Known As: Ferulic Acid 4-O-Sulfate, NCI60_024969, 3-(3-methoxy-4-sulfooxyphenyl)prop-2-enoic acid, 3-[3-Methoxy-4-(sulfooxy)phenyl]-2-propenoic Acid, 3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoic acid
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10O7S |
| Molecular Weight | 274.0147 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.0147 Da |
| Heavy Atoms | 18 |
| Complexity | 408.0 |
| SMILES | COC1=C(C=CC(=C1)C=CC(=O)O)OS(=O)(=O)O |
| InChIKey | PZPATWACAAOHTJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Methoxy-4-sulfooxyphenyl)prop-2-enoic acid
Property Insights of 3-(3-Methoxy-4-sulfooxyphenyl)prop-2-enoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methoxy-4-sulfooxyphenyl)prop-2-enoic acid. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Methoxy-4-sulfooxyphenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, 3-(3-Methoxy-4-sulfooxyphenyl)prop-2-enoic acid has 2 hydrogen bond donor(s) and 7 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-Methoxy-4-sulfooxyphenyl)prop-2-enoic acid?
The CAS number of 3-(3-Methoxy-4-sulfooxyphenyl)prop-2-enoic acid is 151481-53-7.
What is the molecular formula of 3-(3-Methoxy-4-sulfooxyphenyl)prop-2-enoic acid?
The molecular formula of 3-(3-Methoxy-4-sulfooxyphenyl)prop-2-enoic acid is C10H10O7S.
What is the molecular weight of 3-(3-Methoxy-4-sulfooxyphenyl)prop-2-enoic acid?
The molecular weight of 3-(3-Methoxy-4-sulfooxyphenyl)prop-2-enoic acid is 274.0147 g/mol.
Where can I buy 3-(3-Methoxy-4-sulfooxyphenyl)prop-2-enoic acid?
You can request a quote for 3-(3-Methoxy-4-sulfooxyphenyl)prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Methoxy-4-sulfooxyphenyl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(3-Methoxy-4-sulfooxyphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.