3-Methylbut-2-enoic acid, 4-chlorophenyl ester
TL;DR: 3-Methylbut-2-enoic acid, 4-chlorophenyl ester (CAS 159214-70-7) is a chemical compound with molecular formula C11H11ClO2 and molecular weight 210.04475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl) 3-methylbut-2-enoate
Also Known As: 4'-chlorophenyl 3-methylbut-2-enoate, 4-chlorophenyl 3-methylbut-2-enoate, (4-chlorophenyl) 3-methylbut-2-enoate, 3-Methylbut-2-enoic acid, 4-chlorophenyl ester
Technical Specifications
| Molecular Formula | C11H11ClO2 |
| Molecular Weight | 210.04475 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.04475 Da |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
| SMILES | CC(=CC(=O)OC1=CC=C(C=C1)Cl)C |
| InChIKey | CFKIJEHSEFGFHA-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methylbut-2-enoic acid, 4-chlorophenyl ester
Property Insights of 3-Methylbut-2-enoic acid, 4-chlorophenyl ester
The XLogP value of 3.7 indicates that 3-Methylbut-2-enoic acid, 4-chlorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylbut-2-enoic acid, 4-chlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbut-2-enoic acid, 4-chlorophenyl ester has 0 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 3-Methylbut-2-enoic acid, 4-chlorophenyl ester?
The CAS number of 3-Methylbut-2-enoic acid, 4-chlorophenyl ester is 159214-70-7.
What is the molecular formula of 3-Methylbut-2-enoic acid, 4-chlorophenyl ester?
The molecular formula of 3-Methylbut-2-enoic acid, 4-chlorophenyl ester is C11H11ClO2.
What is the molecular weight of 3-Methylbut-2-enoic acid, 4-chlorophenyl ester?
The molecular weight of 3-Methylbut-2-enoic acid, 4-chlorophenyl ester is 210.04475 g/mol.
Where can I buy 3-Methylbut-2-enoic acid, 4-chlorophenyl ester?
You can request a quote for 3-Methylbut-2-enoic acid, 4-chlorophenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylbut-2-enoic acid, 4-chlorophenyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Methylbut-2-enoic acid, 4-chlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.