CTK8D8329
TL;DR: CTK8D8329 (CAS 4175-03-5) is a chemical compound with molecular formula C12H18I2N4OS and molecular weight 519.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;iodide;hydroiodide
Also Known As: 3-[ methyl]-5- -4-methylthiazoliumiodidemonohydroiodide, 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol iodide hydroiodide, thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, iodide, hydroiodide(1:1:1), 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium iodide monohydroiodide, 5-(2-Hydroxyethyl)-3-[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium iodide--hydrogen iodide (1/1/1)
| Molecular Formula | C12H18I2N4OS |
|---|---|
| Molecular Weight | 519.93 g/mol |
| LogP | -1.77 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 519.9291 |
| Heavy Atoms | 20 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 4175-03-5 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.I.[I-] |
| InChIKey | ZQVGYEFKXIDVRT-UHFFFAOYSA-M |
Product Overview
CTK8D8329 (CAS 4175-03-5), with molecular formula C12H18I2N4OS and molecular weight 519.93 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;iodide;hydroiodide.
Chemical Property Profile of CTK8D8329
Property Insights of CTK8D8329
The XLogP value of -1.77 indicates that CTK8D8329 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK8D8329. Following Lipinski's Rule of Five, CTK8D8329 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK8D8329?
The CAS number of CTK8D8329 is 4175-03-5.
What is the molecular formula of CTK8D8329?
The molecular formula of CTK8D8329 is C12H18I2N4OS.
What is the molecular weight of CTK8D8329?
The molecular weight of CTK8D8329 is 519.93 g/mol.
Where can I buy CTK8D8329?
You can request a quote for CTK8D8329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8D8329?
Yes, KEHONG BIO provides custom synthesis services for CTK8D8329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.