RefChem:516061
TL;DR: RefChem:516061 (CAS 499229-40-2) is a chemical compound with molecular formula C19H14F3NO3 and molecular weight 361.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-(ethoxymethylidene)-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione
Also Known As: 4-(ethoxymethylidene)-2-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-1,3-dione, (4E)-4-(ethoxymethylidene)-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione, 4-(Ethoxymethylidene)-2-(3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione, 997-230-5, RefChem:516061
| Molecular Formula | C19H14F3NO3 |
|---|---|
| Molecular Weight | 361.09 g/mol |
| LogP | 4.2698 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.0926 |
| Heavy Atoms | 26 |
| Complexity | 902.8975 |
Chemical Identifiers
| CAS Number | 499229-40-2 |
|---|---|
| SMILES | CCO/C=C/1\C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
RefChem:516061 (CAS 499229-40-2), with molecular formula C19H14F3NO3 and molecular weight 361.09 g/mol. IUPAC: (4E)-4-(ethoxymethylidene)-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione.
Chemical Property Profile of RefChem:516061
Property Insights of RefChem:516061
The XLogP value of 4.2698 indicates that RefChem:516061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, RefChem:516061 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:516061 has 0 hydrogen bond donor(s) and 3 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 RefChem:516061?
The CAS number of RefChem:516061 is 499229-40-2.
What is the molecular formula of RefChem:516061?
The molecular formula of RefChem:516061 is C19H14F3NO3.
What is the molecular weight of RefChem:516061?
The molecular weight of RefChem:516061 is 361.09 g/mol.
Where can I buy RefChem:516061?
You can request a quote for RefChem:516061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:516061?
Yes, KEHONG BIO provides custom synthesis services for RefChem:516061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.