(2E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde
TL;DR: (2E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde (CAS 1613317-59-1) is a chemical compound with molecular formula C10H9ClO2 and molecular weight 196.02911 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(5-chloro-2-hydroxyphenyl)-2-methylprop-2-enal
Also Known As: (2E)-3-(5-CHLORO-2-HYDROXYPHENYL)-2-METHYLACRYLALDEHYDE, (E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde, CHEMBRDG-BB 4012334, (2E)-3-(5-chloro-2-hydroxyphenyl)-2-methylprop-2-enal, W-9514
Technical Specifications
| Molecular Formula | C10H9ClO2 |
| Molecular Weight | 196.02911 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.02911 Da |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
| SMILES | C/C(=C\C1=C(C=CC(=C1)Cl)O)/C=O |
| InChIKey | BHOJOPIJARRCBE-QPJJXVBHSA-N |
Chemical Property Profile of (2E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde
Property Insights of (2E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde. With a topological polar surface area (TPSA) of 37.3 Ų, (2E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde 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-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde?
The CAS number of (2E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde is 1613317-59-1.
What is the molecular formula of (2E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde?
The molecular formula of (2E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde is C10H9ClO2.
What is the molecular weight of (2E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde?
The molecular weight of (2E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde is 196.02911 g/mol.
Where can I buy (2E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde?
You can request a quote for (2E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde?
Yes, CoreyChem provides custom synthesis services for (2E)-3-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.