Ethyl 6-hydroxyquinoline-3-carboxylate
TL;DR: Ethyl 6-hydroxyquinoline-3-carboxylate (CAS 6972-86-7) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-hydroxyquinoline-3-carboxylate
Also Known As: ethyl 6-hydroxyquinoline-3-carboxylate, 6-Hydroxyquinoline-3-carboxylic acid ethyl ester, NCIOpen2_002801, ethyl6-hydroxyquinoline-3-carboxylate
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 6972-86-7 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C=CC(=CC2=C1)O |
| InChIKey | PPAXVLCDNYNJJK-UHFFFAOYSA-N |
Product Overview
Ethyl 6-hydroxyquinoline-3-carboxylate (CAS 6972-86-7), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: ethyl 6-hydroxyquinoline-3-carboxylate.
Chemical Property Profile of Ethyl 6-hydroxyquinoline-3-carboxylate
Property Insights of Ethyl 6-hydroxyquinoline-3-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-hydroxyquinoline-3-carboxylate. With a topological polar surface area (TPSA) of 59.4 Ų, Ethyl 6-hydroxyquinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-hydroxyquinoline-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 6-hydroxyquinoline-3-carboxylate?
The CAS number of Ethyl 6-hydroxyquinoline-3-carboxylate is 6972-86-7.
What is the molecular formula of Ethyl 6-hydroxyquinoline-3-carboxylate?
The molecular formula of Ethyl 6-hydroxyquinoline-3-carboxylate is C12H11NO3.
What is the molecular weight of Ethyl 6-hydroxyquinoline-3-carboxylate?
The molecular weight of Ethyl 6-hydroxyquinoline-3-carboxylate is 217.07 g/mol.
Where can I buy Ethyl 6-hydroxyquinoline-3-carboxylate?
You can request a quote for Ethyl 6-hydroxyquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-hydroxyquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-hydroxyquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.