2,5-Dimethylcinnamic acid
TL;DR: 2,5-Dimethylcinnamic acid (CAS 155814-17-8) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2,5-dimethylphenyl)prop-2-enoic acid
Also Known As: 2,5-Dimethylcinnamic acid, 3-(2,5-Dimethylphenyl)acrylic acid, (2E)-3-(2,5-dimethylphenyl)prop-2-enoic acid, 2,5-DIMETHYLCINNAMICACID, 3-(2,5-Dimethylphenyl)acrylicacid
Technical Specifications
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.08372 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.08372 Da |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
| SMILES | CC1=CC(=C(C=C1)C)/C=C/C(=O)O |
| InChIKey | FAIBVLSPNAHVSQ-AATRIKPKSA-N |
Chemical Property Profile of 2,5-Dimethylcinnamic acid
Property Insights of 2,5-Dimethylcinnamic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethylcinnamic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,5-Dimethylcinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethylcinnamic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,5-Dimethylcinnamic acid?
The CAS number of 2,5-Dimethylcinnamic acid is 155814-17-8.
What is the molecular formula of 2,5-Dimethylcinnamic acid?
The molecular formula of 2,5-Dimethylcinnamic acid is C11H12O2.
What is the molecular weight of 2,5-Dimethylcinnamic acid?
The molecular weight of 2,5-Dimethylcinnamic acid is 176.08372 g/mol.
Where can I buy 2,5-Dimethylcinnamic acid?
You can request a quote for 2,5-Dimethylcinnamic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-Dimethylcinnamic acid?
Yes, CoreyChem provides custom synthesis services for 2,5-Dimethylcinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.