![1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate structure](/static/products/2155/215500-77-9.webp)
1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate
TL;DR: 1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate (CAS 215500-77-9) is a chemical compound with molecular formula C16H20F3N3O4 and molecular weight 375.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]methylidene]propanedioate
Also Known As: 1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate, 12W-0951, Diethyl 2-[[2-[[3-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]methylidene]propanedioate, diethyl 2-{[(2-{[3-(trifluoromethyl)-2-pyridinyl]amino}ethyl)amino]methylene}malonate, 1,3-diethyl2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate
| Molecular Formula | C16H20F3N3O4 |
|---|---|
| Molecular Weight | 375.14 g/mol |
| LogP | 2.112 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 375.1406 |
| Heavy Atoms | 26 |
| Complexity | 627.8723 |
Chemical Identifiers
| CAS Number | 215500-77-9 |
|---|---|
| SMILES | CCOC(=O)C(=CNCCNC1=C(C=CC=N1)C(F)(F)F)C(=O)OCC |
Product Overview
1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate (CAS 215500-77-9), with molecular formula C16H20F3N3O4 and molecular weight 375.14 g/mol. IUPAC: diethyl 2-[[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]methylidene]propanedioate.
Chemical Property Profile of 1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate
Property Insights of 1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate
The XLogP value of 2.112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate. The TPSA of 89.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate. Following Lipinski's Rule of Five, 1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate has 2 hydrogen bond donor(s) and 7 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-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate?
The CAS number of 1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate is 215500-77-9.
What is the molecular formula of 1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate?
The molecular formula of 1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate is C16H20F3N3O4.
What is the molecular weight of 1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate?
The molecular weight of 1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate is 375.14 g/mol.
Where can I buy 1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate?
You can request a quote for 1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)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-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-diethyl 2-{[(2-{[3-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]methylidene}propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.