Propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
TL;DR: Propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CAS 59831-94-6) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Isopropyl ferulate, Iso-proylFerulic acid, Isopropyl 3-(4-hydroxy-3-methoxyphenyl)acrylate, Isopropyl3-(4-hydroxy-3-methoxyphenyl)acrylate, propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.10486 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.10486 Da |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
| SMILES | CC(C)OC(=O)C=CC1=CC(=C(C=C1)O)OC |
| InChIKey | KBTWMQRNUHIETA-UHFFFAOYSA-N |
Chemical Property Profile of Propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Property Insights of Propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate. With a topological polar surface area (TPSA) of 55.8 Ų, Propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The CAS number of Propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is 59831-94-6.
What is the molecular formula of Propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The molecular formula of Propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is C13H16O4.
What is the molecular weight of Propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The molecular weight of Propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is 236.10486 g/mol.
Where can I buy Propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
You can request a quote for Propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.