Homothiamineglycol
TL;DR: Homothiamineglycol (CAS 60478-51-5) is a chemical compound with molecular formula C13H20Cl2N4O2S and molecular weight 366.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]propane-1,2-diol;chloride;hydrochloride
Also Known As: Homothiamineglycol, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride(1:1:1), 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2,3-dihydroxypropyl)-4-methylthiazol-3-ium chloride hydrochloride, 3-(4-Amino-2-methyl-5-pyrimidylmethyl)-4-methyl-5-(beta,gamma-dihydroxypropyl)thiazolium chloride hydrochloride, 3-(4-amino-2-methyl-5-pyrimidylmethyl)-4-methyl-5-(beta,gamma-dihydroxypropyl)thiazolium chloride. HCl
| Molecular Formula | C13H20Cl2N4O2S |
|---|---|
| Molecular Weight | 366.07 g/mol |
| LogP | -2.60556 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.0684 |
| Heavy Atoms | 22 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 60478-51-5 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CC(CO)O.Cl.[Cl-] |
| InChIKey | DUQIQCWRJZJXMY-UHFFFAOYSA-M |
Product Overview
Homothiamineglycol (CAS 60478-51-5), with molecular formula C13H20Cl2N4O2S and molecular weight 366.07 g/mol. IUPAC: 3-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]propane-1,2-diol;chloride;hydrochloride.
Chemical Property Profile of Homothiamineglycol
Property Insights of Homothiamineglycol
The XLogP value of -2.60556 indicates that Homothiamineglycol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Homothiamineglycol. Following Lipinski's Rule of Five, Homothiamineglycol has 4 hydrogen bond donor(s) and 7 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 Homothiamineglycol?
The CAS number of Homothiamineglycol is 60478-51-5.
What is the molecular formula of Homothiamineglycol?
The molecular formula of Homothiamineglycol is C13H20Cl2N4O2S.
What is the molecular weight of Homothiamineglycol?
The molecular weight of Homothiamineglycol is 366.07 g/mol.
Where can I buy Homothiamineglycol?
You can request a quote for Homothiamineglycol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homothiamineglycol?
Yes, KEHONG BIO provides custom synthesis services for Homothiamineglycol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.