4-Methoxybenzalcyanoacetic acid
TL;DR: 4-Methoxybenzalcyanoacetic acid (CAS 1089301-34-7) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid
Also Known As: alpha-Cyano-4-methoxycinnamic acid, DivK1c_004676, 4-methoxybenzalcyanoacetic acid, a-cyano-4-methoxycinnamic acid, 2-cyano-3-(4-methoxyphenyl)prop-2-enoic acid
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H9NO3 |
| Molecular Weight | 203.05824 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.05824 Da |
| Heavy Atoms | 15 |
| Complexity | 305.0 |
| SMILES | COC1=CC=C(C=C1)C=C(C#N)C(=O)O |
| InChIKey | KMHNRJDDHTZZDZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methoxybenzalcyanoacetic acid
Property Insights of 4-Methoxybenzalcyanoacetic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxybenzalcyanoacetic acid. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxybenzalcyanoacetic acid. Following Lipinski's Rule of Five, 4-Methoxybenzalcyanoacetic acid 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 4-Methoxybenzalcyanoacetic acid?
The CAS number of 4-Methoxybenzalcyanoacetic acid is 1089301-34-7.
What is the molecular formula of 4-Methoxybenzalcyanoacetic acid?
The molecular formula of 4-Methoxybenzalcyanoacetic acid is C11H9NO3.
What is the molecular weight of 4-Methoxybenzalcyanoacetic acid?
The molecular weight of 4-Methoxybenzalcyanoacetic acid is 203.05824 g/mol.
Where can I buy 4-Methoxybenzalcyanoacetic acid?
You can request a quote for 4-Methoxybenzalcyanoacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methoxybenzalcyanoacetic acid?
Yes, CoreyChem provides custom synthesis services for 4-Methoxybenzalcyanoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.