Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate
TL;DR: Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate (CAS 72041-79-3) is a chemical compound with molecular formula C13H18N6O3S and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1-pyridin-2-yl-3-(1,3-thiazol-2-yl)guanidine;nitric acid
Also Known As: Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate, N-(1,1-Dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolylguanidine mononitrate, Guanidine, 1-tert-butyl-2-(2-pyridyl)-3-(2-thiazolyl)-, mononitrate, 2-tert-butyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)guanidine,nitric acid, 2-tert-butyl-1-pyridin-2-yl-3-(1,3-thiazol-2-yl)guanidine; nitric acid
| Molecular Formula | C13H18N6O3S |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 2.8689 |
| Topological Polar Surface Area | 125.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.11612 |
| Heavy Atoms | 23 |
| Complexity | 620.91437 |
Chemical Identifiers
| CAS Number | 72041-79-3 |
|---|---|
| SMILES | CC(C)(C)N=C(NC1=CC=CC=N1)NC2=NC=CS2.[N+](=O)(O)[O-] |
Product Overview
Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate (CAS 72041-79-3), with molecular formula C13H18N6O3S and molecular weight 338.12 g/mol. IUPAC: 2-tert-butyl-1-pyridin-2-yl-3-(1,3-thiazol-2-yl)guanidine;nitric acid.
Chemical Property Profile of Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate
Property Insights of Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate
The XLogP value of 2.8689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate. The TPSA of 125.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate. Following Lipinski's Rule of Five, Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate has 3 hydrogen bond donor(s) and 6 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, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate?
The CAS number of Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate is 72041-79-3.
What is the molecular formula of Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate?
The molecular formula of Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate is C13H18N6O3S.
What is the molecular weight of Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate?
The molecular weight of Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate is 338.12 g/mol.
Where can I buy Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate?
You can request a quote for Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, N-(1,1-dimethylethyl)-N'-2-pyridinyl-N''-2-thiazolyl-, mononitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.