![diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate structure](/static/products/1024/1024213-51-1.webp)
diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate
TL;DR: diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate (CAS 1024213-51-1) is a chemical compound with molecular formula C17H17F6NO5 and molecular weight 429.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate
Also Known As: diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate, DIETHYL 2-(((4-(2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL)PHENYL)AMINO)METHYLENE)PROPANE-1,3-DIOATE, 1,3-diethyl 2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedioate, 1,3-diethyl2-({[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino}methylidene)propanedioate, diethyl 2-({4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]anilino}methylene)malonate
| Molecular Formula | C17H17F6NO5 |
|---|---|
| Molecular Weight | 429.10 g/mol |
| LogP | 3.4208 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.1011 |
| Heavy Atoms | 29 |
| Complexity | 721.0624 |
Chemical Identifiers
| CAS Number | 1024213-51-1 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O)C(=O)OCC |
Product Overview
diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate (CAS 1024213-51-1), with molecular formula C17H17F6NO5 and molecular weight 429.10 g/mol. IUPAC: diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate.
Chemical Property Profile of diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate
Property Insights of diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate
The XLogP value of 3.4208 indicates that diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate. Following Lipinski's Rule of Five, diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate has 2 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 diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate?
The CAS number of diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate is 1024213-51-1.
What is the molecular formula of diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate?
The molecular formula of diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate is C17H17F6NO5.
What is the molecular weight of diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate?
The molecular weight of diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate is 429.10 g/mol.
Where can I buy diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate?
You can request a quote for diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.