(2E)-3-(2,5-dichlorophenyl)prop-2-enoic acid
TL;DR: (2E)-3-(2,5-dichlorophenyl)prop-2-enoic acid (CAS 101869-82-3) is a chemical compound with molecular formula C9H6Cl2O2 and molecular weight 215.97449 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2,5-dichlorophenyl)prop-2-enoic acid
Also Known As: 3-(2,5-Dichlorophenyl)acrylic acid, 2,5-dichlorocinnamic acid, trans-2,5-Dichlorocinnamic Acid, 2,5-Dichloro-CinnamicAcid, (E)-3-(2,5-dichlorophenyl)acrylic acid
Technical Specifications
| Molecular Formula | C9H6Cl2O2 |
| Molecular Weight | 215.97449 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.97449 Da |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
| SMILES | C1=CC(=C(C=C1Cl)/C=C/C(=O)O)Cl |
| InChIKey | LYYBVUOVYNSRSE-DAFODLJHSA-N |
Chemical Property Profile of (2E)-3-(2,5-dichlorophenyl)prop-2-enoic acid
Property Insights of (2E)-3-(2,5-dichlorophenyl)prop-2-enoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(2,5-dichlorophenyl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (2E)-3-(2,5-dichlorophenyl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(2,5-dichlorophenyl)prop-2-enoic 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 (2E)-3-(2,5-dichlorophenyl)prop-2-enoic acid?
The CAS number of (2E)-3-(2,5-dichlorophenyl)prop-2-enoic acid is 101869-82-3.
What is the molecular formula of (2E)-3-(2,5-dichlorophenyl)prop-2-enoic acid?
The molecular formula of (2E)-3-(2,5-dichlorophenyl)prop-2-enoic acid is C9H6Cl2O2.
What is the molecular weight of (2E)-3-(2,5-dichlorophenyl)prop-2-enoic acid?
The molecular weight of (2E)-3-(2,5-dichlorophenyl)prop-2-enoic acid is 215.97449 g/mol.
Where can I buy (2E)-3-(2,5-dichlorophenyl)prop-2-enoic acid?
You can request a quote for (2E)-3-(2,5-dichlorophenyl)prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-3-(2,5-dichlorophenyl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for (2E)-3-(2,5-dichlorophenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.