N-benzoyl-N'-(5-isoquinolinyl)thiourea
TL;DR: N-benzoyl-N'-(5-isoquinolinyl)thiourea (CAS 72677-81-7) is a chemical compound with molecular formula C17H13N3OS and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(isoquinolin-5-ylcarbamothioyl)benzamide
Also Known As: N-benzoyl-N'-(5-isoquinolinyl)thiourea, 1-benzoyl-3-(isoquinolin-5-yl)thiourea, N-(isoquinolin-5-ylcarbamothioyl)benzamide, N-(5-isoquinolylcarbamothioyl)benzamide, N-[(Isoquinolin-5-yl)carbamothioyl]benzamide
| Molecular Formula | C17H13N3OS |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.3616 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.07794 |
| Heavy Atoms | 22 |
| Complexity | 828.19147 |
Chemical Identifiers
| CAS Number | 72677-81-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CN=C3 |
Product Overview
N-benzoyl-N'-(5-isoquinolinyl)thiourea (CAS 72677-81-7), with molecular formula C17H13N3OS and molecular weight 307.08 g/mol. IUPAC: N-(isoquinolin-5-ylcarbamothioyl)benzamide.
Chemical Property Profile of N-benzoyl-N'-(5-isoquinolinyl)thiourea
Property Insights of N-benzoyl-N'-(5-isoquinolinyl)thiourea
The XLogP value of 3.3616 indicates that N-benzoyl-N'-(5-isoquinolinyl)thiourea 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-benzoyl-N'-(5-isoquinolinyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzoyl-N'-(5-isoquinolinyl)thiourea has 2 hydrogen bond donor(s) and 3 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-benzoyl-N'-(5-isoquinolinyl)thiourea?
The CAS number of N-benzoyl-N'-(5-isoquinolinyl)thiourea is 72677-81-7.
What is the molecular formula of N-benzoyl-N'-(5-isoquinolinyl)thiourea?
The molecular formula of N-benzoyl-N'-(5-isoquinolinyl)thiourea is C17H13N3OS.
What is the molecular weight of N-benzoyl-N'-(5-isoquinolinyl)thiourea?
The molecular weight of N-benzoyl-N'-(5-isoquinolinyl)thiourea is 307.08 g/mol.
Where can I buy N-benzoyl-N'-(5-isoquinolinyl)thiourea?
You can request a quote for N-benzoyl-N'-(5-isoquinolinyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzoyl-N'-(5-isoquinolinyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-benzoyl-N'-(5-isoquinolinyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.