4,4-Dichloro-2-butenoic acid
TL;DR: 4,4-Dichloro-2-butenoic acid (CAS 16502-88-8) is a chemical compound with molecular formula C4H4Cl2O2 and molecular weight 153.95883 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4,4-dichlorobut-2-enoic acid
Also Known As: 4,4-Dichlorocrotonic acid, (E)-4,4-dichlorobut-2-enoic acid, 4,4-DICHLORO-2-BUTENOIC ACID, gamma,gamma-dichlorocrotonic acid, 4,4-dichloro-trans-crotonic acid
Technical Specifications
| Molecular Formula | C4H4Cl2O2 |
| Molecular Weight | 153.95883 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.95883 Da |
| Heavy Atoms | 8 |
| Complexity | 109.0 |
| SMILES | C(=C/C(=O)O)\C(Cl)Cl |
| InChIKey | XLGXDNRJBKTMBF-OWOJBTEDSA-N |
Chemical Property Profile of 4,4-Dichloro-2-butenoic acid
Property Insights of 4,4-Dichloro-2-butenoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dichloro-2-butenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4,4-Dichloro-2-butenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dichloro-2-butenoic 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 4,4-Dichloro-2-butenoic acid?
The CAS number of 4,4-Dichloro-2-butenoic acid is 16502-88-8.
What is the molecular formula of 4,4-Dichloro-2-butenoic acid?
The molecular formula of 4,4-Dichloro-2-butenoic acid is C4H4Cl2O2.
What is the molecular weight of 4,4-Dichloro-2-butenoic acid?
The molecular weight of 4,4-Dichloro-2-butenoic acid is 153.95883 g/mol.
Where can I buy 4,4-Dichloro-2-butenoic acid?
You can request a quote for 4,4-Dichloro-2-butenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4-Dichloro-2-butenoic acid?
Yes, CoreyChem provides custom synthesis services for 4,4-Dichloro-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.