N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine
TL;DR: N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine (CAS 72041-88-4) is a chemical compound with molecular formula C17H19N5S and molecular weight 325.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1-isoquinolin-1-yl-3-(1,3-thiazol-2-yl)guanidine
Also Known As: Guanidine, 1-tert-butyl-2-(1-isoquinolinyl)-3-(2-thiazolyl)-, N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine, N-(1,1-Dimethylethyl)-N'-1-isoquinolinyl-N''-2-thiazolylguanidine, Guanidine, N-(1,1-dimethylethyl)-N'-1-isoquinolinyl-N''-2-thiazolyl-, 2-tert-butyl-1-isoquinolin-1-yl-1-(1,3-thiazol-2-yl)guanidine
| Molecular Formula | C17H19N5S |
|---|---|
| Molecular Weight | 325.14 g/mol |
| LogP | 4.3698 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.1361 |
| Heavy Atoms | 23 |
| Complexity | 813.1209 |
Chemical Identifiers
| CAS Number | 72041-88-4 |
|---|---|
| SMILES | CC(C)(C)N=C(NC1=NC=CC2=CC=CC=C21)NC3=NC=CS3 |
Product Overview
N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine (CAS 72041-88-4), with molecular formula C17H19N5S and molecular weight 325.14 g/mol. IUPAC: 2-tert-butyl-1-isoquinolin-1-yl-3-(1,3-thiazol-2-yl)guanidine.
Chemical Property Profile of N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine
Property Insights of N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine
The XLogP value of 4.3698 indicates that N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine. Following Lipinski's Rule of Five, N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine has 2 hydrogen bond donor(s) and 4 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-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine?
The CAS number of N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine is 72041-88-4.
What is the molecular formula of N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine?
The molecular formula of N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine is C17H19N5S.
What is the molecular weight of N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine?
The molecular weight of N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine is 325.14 g/mol.
Where can I buy N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine?
You can request a quote for N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine?
Yes, KEHONG BIO provides custom synthesis services for N-tert-Butyl-N''-isoquinolin-1-yl-N'-1,3-thiazol-2-ylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.