1-Isoquinolin-5-yl-3-(4-methylphenyl)thiourea
TL;DR: 1-Isoquinolin-5-yl-3-(4-methylphenyl)thiourea (CAS 437729-52-7) is a chemical compound with molecular formula C17H15N3S and molecular weight 293.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isoquinolin-5-yl-3-(4-methylphenyl)thiourea
Also Known As: 1-isoquinolin-5-yl-3-(4-methylphenyl)thiourea, 1-(5-isoquinolyl)-3-(p-tolyl)thiourea, 1-(5-isoquinolinyl)-3-(4-methylphenyl)thiourea, N-Isoquinolin-5-yl-N'-(4-methylphenyl)thiourea
| Molecular Formula | C17H15N3S |
|---|---|
| Molecular Weight | 293.10 g/mol |
| LogP | 4.35212 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.09866 |
| Heavy Atoms | 21 |
| Complexity | 776.15204 |
Chemical Identifiers
| CAS Number | 437729-52-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3 |
Product Overview
1-Isoquinolin-5-yl-3-(4-methylphenyl)thiourea (CAS 437729-52-7), with molecular formula C17H15N3S and molecular weight 293.10 g/mol. IUPAC: 1-isoquinolin-5-yl-3-(4-methylphenyl)thiourea.
Chemical Property Profile of 1-Isoquinolin-5-yl-3-(4-methylphenyl)thiourea
Property Insights of 1-Isoquinolin-5-yl-3-(4-methylphenyl)thiourea
The XLogP value of 4.35212 indicates that 1-Isoquinolin-5-yl-3-(4-methylphenyl)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-Isoquinolin-5-yl-3-(4-methylphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isoquinolin-5-yl-3-(4-methylphenyl)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-Isoquinolin-5-yl-3-(4-methylphenyl)thiourea?
The CAS number of 1-Isoquinolin-5-yl-3-(4-methylphenyl)thiourea is 437729-52-7.
What is the molecular formula of 1-Isoquinolin-5-yl-3-(4-methylphenyl)thiourea?
The molecular formula of 1-Isoquinolin-5-yl-3-(4-methylphenyl)thiourea is C17H15N3S.
What is the molecular weight of 1-Isoquinolin-5-yl-3-(4-methylphenyl)thiourea?
The molecular weight of 1-Isoquinolin-5-yl-3-(4-methylphenyl)thiourea is 293.10 g/mol.
Where can I buy 1-Isoquinolin-5-yl-3-(4-methylphenyl)thiourea?
You can request a quote for 1-Isoquinolin-5-yl-3-(4-methylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isoquinolin-5-yl-3-(4-methylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Isoquinolin-5-yl-3-(4-methylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.