Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)-
TL;DR: Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)- (CAS 72041-82-8) is a chemical compound with molecular formula C13H17N5S and molecular weight 275.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1-pyridin-4-yl-3-(1,3-thiazol-2-yl)guanidine
Also Known As: 1-tert-Butyl-2-(4-pyridyl)-3-(2-thiazolyl)guanidine, GUANIDINE, 1-tert-BUTYL-2-(4-PYRIDYL)-3-(2-THIAZOLYL)-, 2-tert-butyl-1-pyridin-4-yl-3-(1,3-thiazol-2-yl)guanidine, 1-TERT-BUTYL-2-(PYRIDIN-4-YL)-3-(THIAZOL-2-YL)GUANIDINE, N''-tert-Butyl-N-(pyridin-4-yl)-N'-(1,3-thiazol-2-yl)guanidine
| Molecular Formula | C13H17N5S |
|---|---|
| Molecular Weight | 275.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.12045 |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 72041-82-8 |
|---|---|
| SMILES | CC(C)(C)N=C(NC1=CC=NC=C1)NC2=NC=CS2 |
| InChIKey | BLBUJPGRSAVNTJ-UHFFFAOYSA-N |
Product Overview
Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)- (CAS 72041-82-8), with molecular formula C13H17N5S and molecular weight 275.12 g/mol. IUPAC: 2-tert-butyl-1-pyridin-4-yl-3-(1,3-thiazol-2-yl)guanidine.
Chemical Property Profile of Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)-
Property Insights of Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)-. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)-. Following Lipinski's Rule of Five, Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)- 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 Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)-?
The CAS number of Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)- is 72041-82-8.
What is the molecular formula of Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)-?
The molecular formula of Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)- is C13H17N5S.
What is the molecular weight of Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)-?
The molecular weight of Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)- is 275.12 g/mol.
Where can I buy Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)-?
You can request a quote for Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, 1-tert-butyl-2-(4-pyridyl)-3-(2-thiazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.