![2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide structure](/static/products/866/866008-52-8.png)
2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide
TL;DR: 2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide (CAS 866008-52-8) is a chemical compound with molecular formula C25H16F6N2O4 and molecular weight 522.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylidene)-N,N'-bis[4-(trifluoromethyl)phenyl]propanediamide
Also Known As: 2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide, 2-(1,3-benzodioxol-5-ylmethylidene)-N,N'-bis[4-(trifluoromethyl)phenyl]propanediamide, 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-N,N'-bis[4-(trifluoromethyl)phenyl]propanediamide
| Molecular Formula | C25H16F6N2O4 |
|---|---|
| Molecular Weight | 522.10 g/mol |
| LogP | 6.1137 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 522.10144 |
| Heavy Atoms | 37 |
| Complexity | 1274.0802 |
Chemical Identifiers
| CAS Number | 866008-52-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)NC4=CC=C(C=C4)C(F)(F)F |
Product Overview
2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide (CAS 866008-52-8), with molecular formula C25H16F6N2O4 and molecular weight 522.10 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylidene)-N,N'-bis[4-(trifluoromethyl)phenyl]propanediamide.
Chemical Property Profile of 2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide
Property Insights of 2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide
The XLogP value of 6.1137 indicates that 2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide?
The CAS number of 2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide is 866008-52-8.
What is the molecular formula of 2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide?
The molecular formula of 2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide is C25H16F6N2O4.
What is the molecular weight of 2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide?
The molecular weight of 2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide is 522.10 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide?
You can request a quote for 2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-ylmethylene)-N~1~,N~3~-bis[4-(trifluoromethyl)phenyl]malonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.