5J-040
TL;DR: 5J-040 (CAS 49713-39-5) is a chemical compound with molecular formula C15H16F3NO4 and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[4-(trifluoromethyl)anilino]methylidene]propanedioate
Also Known As: BUTTPARK 18\01-50, Diethyl 2-([4-(trifluoromethyl)anilino]methylene)malonate, 5J-040, Diethyl 2-(((4-(trifluoromethyl)phenyl)amino)methylene)malonate, Diethyl 2-((4-(trifluoromethyl)phenylamino)methylene)malonate
| Molecular Formula | C15H16F3NO4 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 3.1274 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.10315 |
| Heavy Atoms | 23 |
| Complexity | 559.37994 |
Chemical Identifiers
| CAS Number | 49713-39-5 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=C(C=C1)C(F)(F)F)C(=O)OCC |
Product Overview
5J-040 (CAS 49713-39-5), with molecular formula C15H16F3NO4 and molecular weight 331.10 g/mol. IUPAC: diethyl 2-[[4-(trifluoromethyl)anilino]methylidene]propanedioate.
Chemical Property Profile of 5J-040
Property Insights of 5J-040
The XLogP value of 3.1274 indicates that 5J-040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 5J-040. Following Lipinski's Rule of Five, 5J-040 has 1 hydrogen bond donor(s) and 5 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 5J-040?
The CAS number of 5J-040 is 49713-39-5.
What is the molecular formula of 5J-040?
The molecular formula of 5J-040 is C15H16F3NO4.
What is the molecular weight of 5J-040?
The molecular weight of 5J-040 is 331.10 g/mol.
Where can I buy 5J-040?
You can request a quote for 5J-040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5J-040?
Yes, KEHONG BIO provides custom synthesis services for 5J-040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.