![N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea structure](/static/products/581/581809-65-6.png)
N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea
TL;DR: N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea (CAS 581809-65-6) is a chemical compound with molecular formula C18H16FN3O and molecular weight 309.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3-fluorophenyl)ethyl]-3-isoquinolin-5-ylurea
Also Known As: N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea, 1-[2-(3-fluorophenyl)ethyl]-3-isoquinolin-5-yl-urea, 1-[2-(3-fluorophenyl)ethyl]-3-isoquinolin-5-ylurea, N-[2-(3-Fluorophenyl)ethyl]-N'-(isoquinolin-5-yl)urea, Urea, N-[2-(3-fluorophenyl)ethyl]-N'-5-isoquinolinyl-
| Molecular Formula | C18H16FN3O |
|---|---|
| Molecular Weight | 309.13 g/mol |
| LogP | 3.7381 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.12775 |
| Heavy Atoms | 23 |
| Complexity | 829.86945 |
Chemical Identifiers
| CAS Number | 581809-65-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)CCNC(=O)NC2=CC=CC3=C2C=CN=C3 |
Product Overview
N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea (CAS 581809-65-6), with molecular formula C18H16FN3O and molecular weight 309.13 g/mol. IUPAC: 1-[2-(3-fluorophenyl)ethyl]-3-isoquinolin-5-ylurea.
Chemical Property Profile of N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea
Property Insights of N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea
The XLogP value of 3.7381 indicates that N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea 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 N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea?
The CAS number of N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea is 581809-65-6.
What is the molecular formula of N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea?
The molecular formula of N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea is C18H16FN3O.
What is the molecular weight of N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea?
The molecular weight of N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea is 309.13 g/mol.
Where can I buy N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea?
You can request a quote for N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.