Ethyl 5-chloro-2-(ethoxycarbonylmethoxy)benzoate
TL;DR: Ethyl 5-chloro-2-(ethoxycarbonylmethoxy)benzoate (CAS 57202-99-0) is a chemical compound with molecular formula C13H15ClO5 and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chloro-2-(2-ethoxy-2-oxoethoxy)benzoate
Also Known As: ethyl 5-chloro-2-(2-ethoxy-2-oxoethoxy)benzoate, ethyl 4-chloro-2-carbethoxyphenoxyacetate, ETHYL 5-CHLORO-2-(ETHOXYCARBONYLMETHOXY)BENZOATE, (2-carbethoxy-4-chlorophenoxy)-acetic acid ethyl ester, 5-Chlor-2-aethoxycarbonylmethoxy-benzoesaeure-aethylester
| Molecular Formula | C13H15ClO5 |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 286.0608 |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 57202-99-0 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)Cl)C(=O)OCC |
| InChIKey | HVAXDJCWOIRPQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-chloro-2-(ethoxycarbonylmethoxy)benzoate (CAS 57202-99-0), with molecular formula C13H15ClO5 and molecular weight 286.06 g/mol. IUPAC: ethyl 5-chloro-2-(2-ethoxy-2-oxoethoxy)benzoate.
Chemical Property Profile of Ethyl 5-chloro-2-(ethoxycarbonylmethoxy)benzoate
Property Insights of Ethyl 5-chloro-2-(ethoxycarbonylmethoxy)benzoate
The XLogP value of 3.0 indicates that Ethyl 5-chloro-2-(ethoxycarbonylmethoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-chloro-2-(ethoxycarbonylmethoxy)benzoate. Following Lipinski's Rule of Five, Ethyl 5-chloro-2-(ethoxycarbonylmethoxy)benzoate has 0 hydrogen bond donor(s) and 5 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-chloro-2-(ethoxycarbonylmethoxy)benzoate?
The CAS number of Ethyl 5-chloro-2-(ethoxycarbonylmethoxy)benzoate is 57202-99-0.
What is the molecular formula of Ethyl 5-chloro-2-(ethoxycarbonylmethoxy)benzoate?
The molecular formula of Ethyl 5-chloro-2-(ethoxycarbonylmethoxy)benzoate is C13H15ClO5.
What is the molecular weight of Ethyl 5-chloro-2-(ethoxycarbonylmethoxy)benzoate?
The molecular weight of Ethyl 5-chloro-2-(ethoxycarbonylmethoxy)benzoate is 286.06 g/mol.
Where can I buy Ethyl 5-chloro-2-(ethoxycarbonylmethoxy)benzoate?
You can request a quote for Ethyl 5-chloro-2-(ethoxycarbonylmethoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-chloro-2-(ethoxycarbonylmethoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-chloro-2-(ethoxycarbonylmethoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.