1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea
TL;DR: 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea (CAS 454427-09-9) is a chemical compound with molecular formula C16H12FN3S and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3-isoquinolin-5-ylthiourea
Also Known As: 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea, 1-(4-fluorophenyl)-3-(5-isoquinolyl)thiourea, 1-(4-fluorophenyl)-3-isoquinolin-5-ylthiourea, N-(4-Fluorophenyl)-N'-5-isoquinolinylthiourea, (Z)-N-(4-fluorophenyl)-N'-(isoquinolin-5-yl)carbamimidothioic acid
| Molecular Formula | C16H12FN3S |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 4.1828 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.0736 |
| Heavy Atoms | 21 |
| Complexity | 781.6389 |
Chemical Identifiers
| CAS Number | 454427-09-9 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2)C(=C1)NC(=S)NC3=CC=C(C=C3)F |
Product Overview
1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea (CAS 454427-09-9), with molecular formula C16H12FN3S and molecular weight 297.07 g/mol. IUPAC: 1-(4-fluorophenyl)-3-isoquinolin-5-ylthiourea.
Chemical Property Profile of 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea
Property Insights of 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea
The XLogP value of 4.1828 indicates that 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.95 Ų, 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea 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 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea?
The CAS number of 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea is 454427-09-9.
What is the molecular formula of 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea?
The molecular formula of 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea is C16H12FN3S.
What is the molecular weight of 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea?
The molecular weight of 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea is 297.07 g/mol.
Where can I buy 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea?
You can request a quote for 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)-3-(isoquinolin-5-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.