Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate
TL;DR: Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate (CAS 71079-51-1) is a chemical compound with molecular formula C22H31N7O6S and molecular weight 521.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-methylheptan-2-yl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine;bis(nitric acid)
Also Known As: Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate, Guanidine, N-(1,5-dimethylhexyl)-N'-(2-methyl-4-quinolinyl)-N''-2-thiazolyl-, dinitrate, N-(1,5-Dimethylhexyl)-N'-(2-methyl-4-quinolinyl)-N''-2-thiazolylguanidine dinitrate, Nitric acid--N''-(6-methylheptan-2-yl)-N-(2-methylquinolin-4(1H)-ylidene)-N'-1,3-thiazol-2-ylguanidine (2/1), 2-(6-methylheptan-2-yl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine; nitric acid
| Molecular Formula | C22H31N7O6S |
|---|---|
| Molecular Weight | 521.21 g/mol |
| LogP | 5.39912 |
| Topological Polar Surface Area | 188.94 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 521.2056 |
| Heavy Atoms | 36 |
| Complexity | 1105.2821 |
Chemical Identifiers
| CAS Number | 71079-51-1 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)CCCC(C)C)NC3=NC=CS3.[N+](=O)(O)[O-].[N+](=O)(O)[O-] |
Product Overview
Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate (CAS 71079-51-1), with molecular formula C22H31N7O6S and molecular weight 521.21 g/mol. IUPAC: 2-(6-methylheptan-2-yl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine;bis(nitric acid).
Chemical Property Profile of Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate
Property Insights of Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate
The XLogP value of 5.39912 indicates that Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 188.94 Ų indicates high polarity, suggesting Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate?
The CAS number of Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate is 71079-51-1.
What is the molecular formula of Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate?
The molecular formula of Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate is C22H31N7O6S.
What is the molecular weight of Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate?
The molecular weight of Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate is 521.21 g/mol.
Where can I buy Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate?
You can request a quote for Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-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-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, 1-(1,5-dimethylhexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, dinitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.