(E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid
TL;DR: (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid (CAS 115340-67-5) is a chemical compound with molecular formula C5H3Cl3O3 and molecular weight 215.91478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2,4,4-trichloro-3-formylbut-2-enoic acid
Also Known As: E-MX, starbld0002226, (E)-2-Chloro-3-(dichloromethyl)-4-oxobutenoic acid, Procolipase activation peptide, 2-Chloro-3-(dichloromethyl)-4-oxobutenoic acid
Technical Specifications
| Molecular Formula | C5H3Cl3O3 |
| Molecular Weight | 215.91478 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.91478 Da |
| Heavy Atoms | 11 |
| Complexity | 209.0 |
| SMILES | C(=O)/C(=C(/C(=O)O)\Cl)/C(Cl)Cl |
| InChIKey | BYYQBAWEAGLGPF-NSCUHMNNSA-N |
Chemical Property Profile of (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid
Property Insights of (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid?
The CAS number of (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid is 115340-67-5.
What is the molecular formula of (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid?
The molecular formula of (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid is C5H3Cl3O3.
What is the molecular weight of (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid?
The molecular weight of (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid is 215.91478 g/mol.
Where can I buy (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid?
You can request a quote for (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid?
Yes, CoreyChem provides custom synthesis services for (E)-2-chloro-3-(dichloromethyl)-4-oxobutenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.