Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate
TL;DR: Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate (CAS 72041-85-1) is a chemical compound with molecular formula C14H21N7O6S and molecular weight 415.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl-[N-(2-methyl-4-pyridinyl)-C-(1,3-thiazol-2-ylazaniumyl)carbonimidoyl]azanium dinitrate
Also Known As: 1-tert-Butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)guanidine dinitrate, GUANIDINE, 1-tert-BUTYL-2-(2-METHYL-4-PYRIDYL)-3-(2-THIAZOLYL)-, DINITRATE, tert-butyl-[N-(2-methylpyridin-4-yl)-C-(1,3-thiazol-2-ylazaniumyl)carbonimidoyl]azanium dinitrate, [N-(2-methylpyridin-4-yl)-C-(1,3-thiazol-2-ylammonio)carbonimidoyl]-tert-butyl-azanium dinitrate, RefChem:346906
| Molecular Formula | C14H21N7O6S |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 0.61 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.1274 |
| Heavy Atoms | 28 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 72041-85-1 |
|---|---|
| SMILES | CC1=NC=CC(=C1)N=C([NH2+]C2=NC=CS2)[NH2+]C(C)(C)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-] |
| InChIKey | AFWGINWQLXVKHP-UHFFFAOYSA-P |
Product Overview
Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate (CAS 72041-85-1), with molecular formula C14H21N7O6S and molecular weight 415.13 g/mol. IUPAC: tert-butyl-[N-(2-methyl-4-pyridinyl)-C-(1,3-thiazol-2-ylazaniumyl)carbonimidoyl]azanium dinitrate.
Chemical Property Profile of Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate
Property Insights of Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate
The XLogP value of 0.61 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate. The TPSA of 225.0 Ų indicates high polarity, suggesting Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate has 2 hydrogen bond donor(s) and 10 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-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate?
The CAS number of Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate is 72041-85-1.
What is the molecular formula of Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate?
The molecular formula of Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate is C14H21N7O6S.
What is the molecular weight of Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate?
The molecular weight of Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate is 415.13 g/mol.
Where can I buy Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate?
You can request a quote for Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate 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-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, 1-tert-butyl-2-(2-methyl-4-pyridyl)-3-(2-thiazolyl)-, dinitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.