Ethyl 4-amino-3,5-dichlorobenzoate
TL;DR: Ethyl 4-amino-3,5-dichlorobenzoate (CAS 74878-31-2) is a chemical compound with molecular formula C9H9Cl2NO2 and molecular weight 233.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3,5-dichlorobenzoate
Also Known As: Ethyl 4-amino-3,5-dichlorobenzoate, tetramethylammoniumhydroxide, Ethyl 3,5-dichloro-4-aminobenzoate, Ethyl4-amino-3,5-dichlorobenzoate, 4-amino-3,5-dichlorobenzoic acid ethyl ester
| Molecular Formula | C9H9Cl2NO2 |
|---|---|
| Molecular Weight | 233.00 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.00104 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 74878-31-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)Cl)N)Cl |
| InChIKey | MIDALAPASRDTOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-amino-3,5-dichlorobenzoate (CAS 74878-31-2), with molecular formula C9H9Cl2NO2 and molecular weight 233.00 g/mol. IUPAC: ethyl 4-amino-3,5-dichlorobenzoate.
Chemical Property Profile of Ethyl 4-amino-3,5-dichlorobenzoate
Property Insights of Ethyl 4-amino-3,5-dichlorobenzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-amino-3,5-dichlorobenzoate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 4-amino-3,5-dichlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-amino-3,5-dichlorobenzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-amino-3,5-dichlorobenzoate?
The CAS number of Ethyl 4-amino-3,5-dichlorobenzoate is 74878-31-2.
What is the molecular formula of Ethyl 4-amino-3,5-dichlorobenzoate?
The molecular formula of Ethyl 4-amino-3,5-dichlorobenzoate is C9H9Cl2NO2.
What is the molecular weight of Ethyl 4-amino-3,5-dichlorobenzoate?
The molecular weight of Ethyl 4-amino-3,5-dichlorobenzoate is 233.00 g/mol.
Where can I buy Ethyl 4-amino-3,5-dichlorobenzoate?
You can request a quote for Ethyl 4-amino-3,5-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-amino-3,5-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-3,5-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.