![1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate structure](/static/products/1307/130728-49-3.webp)
1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate
TL;DR: 1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate (CAS 130728-49-3) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(quinolin-8-ylamino)methylidene]propanedioate
Also Known As: 1,3-diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate, diethyl 2-[(8-quinolinylamino)methylene]malonate, diethyl 2-[(quinolin-8-ylamino)methylidene]propanedioate, diethyl 2-[(8-quinolylamino)methylene]propanedioate, (8-Quinolylaminomethylene)malonic acid, diethyl ester
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 130728-49-3 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=CC2=C1N=CC=C2)C(=O)OCC |
| InChIKey | QUCLZFYUKIGNMU-UHFFFAOYSA-N |
Product Overview
1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate (CAS 130728-49-3), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: diethyl 2-[(quinolin-8-ylamino)methylidene]propanedioate.
Chemical Property Profile of 1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate
Property Insights of 1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate
The XLogP value of 3.5 indicates that 1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate. Following Lipinski's Rule of Five, 1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate 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 1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate?
The CAS number of 1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate is 130728-49-3.
What is the molecular formula of 1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate?
The molecular formula of 1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate is C17H18N2O4.
What is the molecular weight of 1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate?
The molecular weight of 1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate is 314.13 g/mol.
Where can I buy 1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate?
You can request a quote for 1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-{[(quinolin-8-yl)amino]methylidene}propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.