Ethyl 3,5-dichloro-4-methoxybenzoate
TL;DR: Ethyl 3,5-dichloro-4-methoxybenzoate (CAS 15945-28-5) is a chemical compound with molecular formula C10H10Cl2O3 and molecular weight 248.0007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3,5-dichloro-4-methoxybenzoate
Also Known As: Ethyl 3,5-dichloro-4-methoxybenzoate, Benzoic acid, 3,5-dichloro-4-methoxy-, ethyl ester, 3,5-Dichloro-4-methoxybenzoic acid ethyl ester, ethyl 3,5-dichloro-4-methoxy-benzoate, 4-Methoxy-3,5-dichlorbenzoesaeure-ethylester
Technical Specifications
| Molecular Formula | C10H10Cl2O3 |
| Molecular Weight | 248.0007 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.0007 Da |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)Cl)OC)Cl |
| InChIKey | VKISJJBQCWTCFE-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3,5-dichloro-4-methoxybenzoate
Property Insights of Ethyl 3,5-dichloro-4-methoxybenzoate
The XLogP value of 3.6 indicates that Ethyl 3,5-dichloro-4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 3,5-dichloro-4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,5-dichloro-4-methoxybenzoate has 0 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 Ethyl 3,5-dichloro-4-methoxybenzoate?
The CAS number of Ethyl 3,5-dichloro-4-methoxybenzoate is 15945-28-5.
What is the molecular formula of Ethyl 3,5-dichloro-4-methoxybenzoate?
The molecular formula of Ethyl 3,5-dichloro-4-methoxybenzoate is C10H10Cl2O3.
What is the molecular weight of Ethyl 3,5-dichloro-4-methoxybenzoate?
The molecular weight of Ethyl 3,5-dichloro-4-methoxybenzoate is 248.0007 g/mol.
Where can I buy Ethyl 3,5-dichloro-4-methoxybenzoate?
You can request a quote for Ethyl 3,5-dichloro-4-methoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3,5-dichloro-4-methoxybenzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3,5-dichloro-4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.