Guanidine, 1-tert-butyl-3-(2-thiazolyl)-, maleate
TL;DR: Guanidine, 1-tert-butyl-3-(2-thiazolyl)-, maleate (CAS 101517-04-8) is a chemical compound with molecular formula C12H18N4O4S and molecular weight 314.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl-[(E)-N'-(1,3-thiazol-2-yl)carbamimidoyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 1-tert-Butyl-3-(2-thiazolyl)guanidine maleate, GUANIDINE, 1-tert-BUTYL-3-(2-THIAZOLYL)-, MALEATE, RefChem:1086246
| Molecular Formula | C12H18N4O4S |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | -1.1717 |
| Topological Polar Surface Area | 145.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.1049 |
| Heavy Atoms | 21 |
| Complexity | 501.85977 |
Chemical Identifiers
| CAS Number | 101517-04-8 |
|---|---|
| SMILES | CC(C)(C)[NH2+]/C(=N/C1=NC=CS1)/N.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
Guanidine, 1-tert-butyl-3-(2-thiazolyl)-, maleate (CAS 101517-04-8), with molecular formula C12H18N4O4S and molecular weight 314.10 g/mol. IUPAC: tert-butyl-[(E)-N'-(1,3-thiazol-2-yl)carbamimidoyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of Guanidine, 1-tert-butyl-3-(2-thiazolyl)-, maleate
Property Insights of Guanidine, 1-tert-butyl-3-(2-thiazolyl)-, maleate
The XLogP value of -1.1717 indicates that Guanidine, 1-tert-butyl-3-(2-thiazolyl)-, maleate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.31 Ų indicates high polarity, suggesting Guanidine, 1-tert-butyl-3-(2-thiazolyl)-, maleate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Guanidine, 1-tert-butyl-3-(2-thiazolyl)-, maleate 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, 1-tert-butyl-3-(2-thiazolyl)-, maleate?
The CAS number of Guanidine, 1-tert-butyl-3-(2-thiazolyl)-, maleate is 101517-04-8.
What is the molecular formula of Guanidine, 1-tert-butyl-3-(2-thiazolyl)-, maleate?
The molecular formula of Guanidine, 1-tert-butyl-3-(2-thiazolyl)-, maleate is C12H18N4O4S.
What is the molecular weight of Guanidine, 1-tert-butyl-3-(2-thiazolyl)-, maleate?
The molecular weight of Guanidine, 1-tert-butyl-3-(2-thiazolyl)-, maleate is 314.10 g/mol.
Where can I buy Guanidine, 1-tert-butyl-3-(2-thiazolyl)-, maleate?
You can request a quote for Guanidine, 1-tert-butyl-3-(2-thiazolyl)-, maleate 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-3-(2-thiazolyl)-, maleate?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, 1-tert-butyl-3-(2-thiazolyl)-, maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.