![Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]- structure](/static/products/581/581809-87-2.png)
Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]-
TL;DR: Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]- (CAS 581809-87-2) is a chemical compound with molecular formula C19H16F3N3O and molecular weight 359.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isoquinolin-5-yl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
Also Known As: isoquinoline deriv.,14e, isoquinoline deriv., 14e, Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]-, 1-isoquinolin-5-yl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea, 3-isoquinolin-5-yl-1-[2-[3-(trifluoromethyl)phenyl]ethyl]urea
| Molecular Formula | C19H16F3N3O |
|---|---|
| Molecular Weight | 359.12 g/mol |
| LogP | 4.6178 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.12454 |
| Heavy Atoms | 26 |
| Complexity | 919.79645 |
Chemical Identifiers
| CAS Number | 581809-87-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CCNC(=O)NC2=CC=CC3=C2C=CN=C3 |
Product Overview
Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]- (CAS 581809-87-2), with molecular formula C19H16F3N3O and molecular weight 359.12 g/mol. IUPAC: 1-isoquinolin-5-yl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea.
Chemical Property Profile of Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]-
Property Insights of Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]-
The XLogP value of 4.6178 indicates that Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]- has 2 hydrogen bond donor(s) and 2 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 Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]-?
The CAS number of Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]- is 581809-87-2.
What is the molecular formula of Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]-?
The molecular formula of Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]- is C19H16F3N3O.
What is the molecular weight of Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]-?
The molecular weight of Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]- is 359.12 g/mol.
Where can I buy Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]-?
You can request a quote for Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.