![1,3-Diethyl 2-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate structure](/static/products/1039/103975-94-6.webp)
1,3-Diethyl 2-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate
TL;DR: 1,3-Diethyl 2-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate (CAS 103975-94-6) is a chemical compound with molecular formula C13H15ClN2O4 and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[(2-chloro-3-pyridinyl)amino]methylidene]propanedioate
Also Known As: Diethyl 2-(((2-chloropyridin-3-yl)amino)methylene)malonate, Diethyl 2-([(2-chloro-3-pyridyl)amino]methylidene)malonate, diethyl 2-{[(2-chloro-3-pyridyl)amino]methylidene}malonate, 1,3-diethyl 2-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate, diethyl 2-[[(2-chloropyridin-3-yl)amino]methylidene]propanedioate
| Molecular Formula | C13H15ClN2O4 |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | 2.157 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.07202 |
| Heavy Atoms | 20 |
| Complexity | 496.84753 |
Chemical Identifiers
| CAS Number | 103975-94-6 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=C(N=CC=C1)Cl)C(=O)OCC |
Product Overview
1,3-Diethyl 2-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate (CAS 103975-94-6), with molecular formula C13H15ClN2O4 and molecular weight 298.07 g/mol. IUPAC: diethyl 2-[[(2-chloro-3-pyridinyl)amino]methylidene]propanedioate.
Chemical Property Profile of 1,3-Diethyl 2-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate
Property Insights of 1,3-Diethyl 2-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate
The XLogP value of 2.157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl 2-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl 2-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate. Following Lipinski's Rule of Five, 1,3-Diethyl 2-{[(2-chloropyridin-3-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-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate?
The CAS number of 1,3-Diethyl 2-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate is 103975-94-6.
What is the molecular formula of 1,3-Diethyl 2-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate?
The molecular formula of 1,3-Diethyl 2-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate is C13H15ClN2O4.
What is the molecular weight of 1,3-Diethyl 2-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate?
The molecular weight of 1,3-Diethyl 2-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate is 298.07 g/mol.
Where can I buy 1,3-Diethyl 2-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate?
You can request a quote for 1,3-Diethyl 2-{[(2-chloropyridin-3-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-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-{[(2-chloropyridin-3-yl)amino]methylidene}propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.