RefChem:347016
TL;DR: RefChem:347016 (CAS 71079-89-5) is a chemical compound with molecular formula C18H18F3N5S and molecular weight 393.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1-(1,3-thiazol-2-yl)-3-[7-(trifluoromethyl)quinolin-4-yl]guanidine
Also Known As: Guanidine, 1-tert-butyl-3-(2-thiazolyl)-2-(7-(trifluoromethyl)-4-quinolyl)-, Guanidine, N-(1,1-dimethylethyl)-N'-2-thiazolyl-N''-(7-(trifluoromethyl)-4-quinolinyl)-, N-(1,1-Dimethylethyl)-N'-2-thiazolyl-N''-(7-(trifluoromethyl)-4-quinolinyl)guanidine, N-Cyclohexyl-N'-(2-ethyl-quinolin-4-yl)-N''-thiazol-2-yl-guanidine, 1-(tert-butyl)-3-(thiazol-2-yl)-2-(7-(trifluoromethyl)quinolin-4-yl)guanidine
| Molecular Formula | C18H18F3N5S |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | 5.3886 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.1235 |
| Heavy Atoms | 27 |
| Complexity | 959.27783 |
Chemical Identifiers
| CAS Number | 71079-89-5 |
|---|---|
| SMILES | CC(C)(C)N=C(NC1=C2C=CC(=CC2=NC=C1)C(F)(F)F)NC3=NC=CS3 |
Product Overview
RefChem:347016 (CAS 71079-89-5), with molecular formula C18H18F3N5S and molecular weight 393.12 g/mol. IUPAC: 2-tert-butyl-1-(1,3-thiazol-2-yl)-3-[7-(trifluoromethyl)quinolin-4-yl]guanidine.
Chemical Property Profile of RefChem:347016
Property Insights of RefChem:347016
The XLogP value of 5.3886 indicates that RefChem:347016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:347016. Following Lipinski's Rule of Five, RefChem:347016 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:347016?
The CAS number of RefChem:347016 is 71079-89-5.
What is the molecular formula of RefChem:347016?
The molecular formula of RefChem:347016 is C18H18F3N5S.
What is the molecular weight of RefChem:347016?
The molecular weight of RefChem:347016 is 393.12 g/mol.
Where can I buy RefChem:347016?
You can request a quote for RefChem:347016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:347016?
Yes, KEHONG BIO provides custom synthesis services for RefChem:347016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.