Propanoic acid, 2,3-dichloro-, ethyl ester
TL;DR: Propanoic acid, 2,3-dichloro-, ethyl ester (CAS 6628-21-3) is a chemical compound with molecular formula C5H8Cl2O2 and molecular weight 169.99013 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2,3-dichloropropanoate
Also Known As: Ethyl 2,3-dichloropropionate, Ethyl 2,3-dichloropropanoate, Ethyl-2,3-Dichloropropionate, Ethyl 2,3-dichloro propionate, Ethyl alpha,beta-dichloropropionate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8Cl2O2 |
| Molecular Weight | 169.99013 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 169.99013 Da |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
| SMILES | CCOC(=O)C(CCl)Cl |
| InChIKey | RNZPQAZETZXKCQ-UHFFFAOYSA-N |
Chemical Property Profile of Propanoic acid, 2,3-dichloro-, ethyl ester
Property Insights of Propanoic acid, 2,3-dichloro-, ethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2,3-dichloro-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 2,3-dichloro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2,3-dichloro-, ethyl 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 Propanoic acid, 2,3-dichloro-, ethyl ester?
The CAS number of Propanoic acid, 2,3-dichloro-, ethyl ester is 6628-21-3.
What is the molecular formula of Propanoic acid, 2,3-dichloro-, ethyl ester?
The molecular formula of Propanoic acid, 2,3-dichloro-, ethyl ester is C5H8Cl2O2.
What is the molecular weight of Propanoic acid, 2,3-dichloro-, ethyl ester?
The molecular weight of Propanoic acid, 2,3-dichloro-, ethyl ester is 169.99013 g/mol.
Where can I buy Propanoic acid, 2,3-dichloro-, ethyl ester?
You can request a quote for Propanoic acid, 2,3-dichloro-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanoic acid, 2,3-dichloro-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Propanoic acid, 2,3-dichloro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.