2-Amino-4,5-dichloropent-4-enoic acid
TL;DR: 2-Amino-4,5-dichloropent-4-enoic acid (CAS 100114-43-0) is a chemical compound with molecular formula C5H7Cl2NO2 and molecular weight 182.98538 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4,5-dichloropent-4-enoic acid
Also Known As: 2-amino-4,5-dichloropent-4-enoic acid, 4-Pentenoic acid, 2-amino-4,5-dichloro-
Technical Specifications
| Molecular Formula | C5H7Cl2NO2 |
| Molecular Weight | 182.98538 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.98538 Da |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
| SMILES | C(C(C(=O)O)N)C(=CCl)Cl |
| InChIKey | GFBSXYDTHBSBQJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-4,5-dichloropent-4-enoic acid
Property Insights of 2-Amino-4,5-dichloropent-4-enoic acid
The XLogP value of -1.6 indicates that 2-Amino-4,5-dichloropent-4-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4,5-dichloropent-4-enoic acid. Following Lipinski's Rule of Five, 2-Amino-4,5-dichloropent-4-enoic acid has 2 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 2-Amino-4,5-dichloropent-4-enoic acid?
The CAS number of 2-Amino-4,5-dichloropent-4-enoic acid is 100114-43-0.
What is the molecular formula of 2-Amino-4,5-dichloropent-4-enoic acid?
The molecular formula of 2-Amino-4,5-dichloropent-4-enoic acid is C5H7Cl2NO2.
What is the molecular weight of 2-Amino-4,5-dichloropent-4-enoic acid?
The molecular weight of 2-Amino-4,5-dichloropent-4-enoic acid is 182.98538 g/mol.
Where can I buy 2-Amino-4,5-dichloropent-4-enoic acid?
You can request a quote for 2-Amino-4,5-dichloropent-4-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-4,5-dichloropent-4-enoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Amino-4,5-dichloropent-4-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.