Butyl 3,4-dichlorobenzoate
TL;DR: Butyl 3,4-dichlorobenzoate (CAS 15188-66-6) is a chemical compound with molecular formula C11H12Cl2O2 and molecular weight 246.02144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 3,4-dichlorobenzoate
Also Known As: butyl 3,4-dichlorobenzoate, 3,4-Dichlor-benzoesaeure-butylester, 3,4-Dichlorobenzoic acid butyl ester, J3.565.985D
Technical Specifications
| Molecular Formula | C11H12Cl2O2 |
| Molecular Weight | 246.02144 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.02144 Da |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
| SMILES | CCCCOC(=O)C1=CC(=C(C=C1)Cl)Cl |
| InChIKey | UCRKKARYPUKFGN-UHFFFAOYSA-N |
Chemical Property Profile of Butyl 3,4-dichlorobenzoate
Property Insights of Butyl 3,4-dichlorobenzoate
The XLogP value of 5.0 indicates that Butyl 3,4-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 3,4-dichlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 3,4-dichlorobenzoate 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 Butyl 3,4-dichlorobenzoate?
The CAS number of Butyl 3,4-dichlorobenzoate is 15188-66-6.
What is the molecular formula of Butyl 3,4-dichlorobenzoate?
The molecular formula of Butyl 3,4-dichlorobenzoate is C11H12Cl2O2.
What is the molecular weight of Butyl 3,4-dichlorobenzoate?
The molecular weight of Butyl 3,4-dichlorobenzoate is 246.02144 g/mol.
Where can I buy Butyl 3,4-dichlorobenzoate?
You can request a quote for Butyl 3,4-dichlorobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl 3,4-dichlorobenzoate?
Yes, CoreyChem provides custom synthesis services for Butyl 3,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.