1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea
TL;DR: 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea (CAS 608516-51-4) is a chemical compound with molecular formula C18H13ClF3N3O and molecular weight 379.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-chloroisoquinolin-5-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
Also Known As: 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea, 1-(1-chloroisoquinolin-5-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea, N-(1-Chloroisoquinolin-5-yl)-N'-[4-(trifluoromethyl)benzyl]urea, N-(1-Chloroisoquinolin-5-yl)-N'-{[4-(trifluoromethyl)phenyl]methyl}urea, Urea, N-(1-chloro-5-isoquinolinyl)-N'-[[4-(trifluoromethyl)phenyl]methyl]-
| Molecular Formula | C18H13ClF3N3O |
|---|---|
| Molecular Weight | 379.07 g/mol |
| LogP | 5.2287 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.06992 |
| Heavy Atoms | 26 |
| Complexity | 942.5593 |
Chemical Identifiers
| CAS Number | 608516-51-4 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2Cl)C(=C1)NC(=O)NCC3=CC=C(C=C3)C(F)(F)F |
Product Overview
1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea (CAS 608516-51-4), with molecular formula C18H13ClF3N3O and molecular weight 379.07 g/mol. IUPAC: 1-(1-chloroisoquinolin-5-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea.
Chemical Property Profile of 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea
Property Insights of 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea
The XLogP value of 5.2287 indicates that 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea?
The CAS number of 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea is 608516-51-4.
What is the molecular formula of 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea?
The molecular formula of 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea is C18H13ClF3N3O.
What is the molecular weight of 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea?
The molecular weight of 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea is 379.07 g/mol.
Where can I buy 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea?
You can request a quote for 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Chloro-isoquinolin-5-yl)-3-(4-trifluoromethyl-benzyl)-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.