Ethyl 5-chlorosalicylate
TL;DR: Ethyl 5-chlorosalicylate (CAS 15196-83-5) is a chemical compound with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chloro-2-hydroxybenzoate
Also Known As: Ethyl 5-chlorosalicylate, ethyl 5-chloro-2-hydroxybenzoate, 5-Chlorosalicylic Acid Ethyl Ester, 5-Chloro-2-hydroxybenzoic acid ethyl ester, ethyl 5-chloro-salicylate
| Molecular Formula | C9H9ClO3 |
|---|---|
| Molecular Weight | 200.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.02402 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 15196-83-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)Cl)O |
| InChIKey | ATMSMRINTOGATK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-chlorosalicylate (CAS 15196-83-5), with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol. IUPAC: ethyl 5-chloro-2-hydroxybenzoate.
Chemical Property Profile of Ethyl 5-chlorosalicylate
Property Insights of Ethyl 5-chlorosalicylate
The XLogP value of 3.8 indicates that Ethyl 5-chlorosalicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 5-chlorosalicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-chlorosalicylate 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 5-chlorosalicylate?
The CAS number of Ethyl 5-chlorosalicylate is 15196-83-5.
What is the molecular formula of Ethyl 5-chlorosalicylate?
The molecular formula of Ethyl 5-chlorosalicylate is C9H9ClO3.
What is the molecular weight of Ethyl 5-chlorosalicylate?
The molecular weight of Ethyl 5-chlorosalicylate is 200.02 g/mol.
Where can I buy Ethyl 5-chlorosalicylate?
You can request a quote for Ethyl 5-chlorosalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-chlorosalicylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-chlorosalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.