1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate
TL;DR: 1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate (CAS 90021-69-5) is a chemical compound with molecular formula C15H15NO5 and molecular weight 289.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-ethyl 3-O-(quinolin-2-ylmethyl) 2-hydroxypropanedioate
Also Known As: ethyl quinolin-2-ylmethyl hydroxypropanedioate, 1-ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate, Ethyl (quinolin-2-yl)methyl hydroxypropanedioate, ethyl quinolin-2-ylmethyl 2-hydroxypropanedioate, 1-O-ethyl 3-O-(quinolin-2-ylmethyl) 2-hydroxypropanedioate
| Molecular Formula | C15H15NO5 |
|---|---|
| Molecular Weight | 289.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 289.09503 |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 90021-69-5 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC1=NC2=CC=CC=C2C=C1)O |
| InChIKey | FWTSNQDBSJDICB-UHFFFAOYSA-N |
Product Overview
1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate (CAS 90021-69-5), with molecular formula C15H15NO5 and molecular weight 289.10 g/mol. IUPAC: 1-O-ethyl 3-O-(quinolin-2-ylmethyl) 2-hydroxypropanedioate.
Chemical Property Profile of 1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate
Property Insights of 1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate. Following Lipinski's Rule of Five, 1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate has 1 hydrogen bond donor(s) and 6 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 1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate?
The CAS number of 1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate is 90021-69-5.
What is the molecular formula of 1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate?
The molecular formula of 1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate is C15H15NO5.
What is the molecular weight of 1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate?
The molecular weight of 1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate is 289.10 g/mol.
Where can I buy 1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate?
You can request a quote for 1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-3-quinolin-2-ylmethyl-2-hydroxy malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.