Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate
TL;DR: Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate (CAS 71079-87-3) is a chemical compound with molecular formula C19H25N7O7S and molecular weight 495.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl-[[(2-ethoxyquinolin-4-yl)amino]-(1,3-thiazol-2-ylazaniumyl)methylidene]azanium dinitrate
Also Known As: 1-tert-Butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)guanidine dinitrate, GUANIDINE, 1-tert-BUTYL-2-(2-ETHOXY-4-QUINOLYL)-3-(2-THIAZOLYL)-, DINITRATE, tert-butyl-[[(2-ethoxyquinolin-4-yl)amino]-(1,3-thiazol-2-ylazaniumyl)methylidene]azanium dinitrate, RefChem:346904
| Molecular Formula | C19H25N7O7S |
|---|---|
| Molecular Weight | 495.15 g/mol |
| LogP | 1.15 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.15363 |
| Heavy Atoms | 34 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 71079-87-3 |
|---|---|
| SMILES | CCOC1=NC2=CC=CC=C2C(=C1)NC(=[NH+]C(C)(C)C)[NH2+]C3=NC=CS3.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-] |
| InChIKey | KDTRKDCBBZZICU-UHFFFAOYSA-P |
Product Overview
Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate (CAS 71079-87-3), with molecular formula C19H25N7O7S and molecular weight 495.15 g/mol. IUPAC: tert-butyl-[[(2-ethoxyquinolin-4-yl)amino]-(1,3-thiazol-2-ylazaniumyl)methylidene]azanium dinitrate.
Chemical Property Profile of Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate
Property Insights of Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate
The XLogP value of 1.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate. The TPSA of 232.0 Ų indicates high polarity, suggesting Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-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-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate has 3 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-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate?
The CAS number of Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate is 71079-87-3.
What is the molecular formula of Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate?
The molecular formula of Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate is C19H25N7O7S.
What is the molecular weight of Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate?
The molecular weight of Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate is 495.15 g/mol.
Where can I buy Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate?
You can request a quote for Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-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-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, 1-tert-butyl-2-(2-ethoxy-4-quinolyl)-3-(2-thiazolyl)-, dinitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.