Ethylthiamine
TL;DR: Ethylthiamine (CAS 10593-44-9) is a chemical compound with molecular formula C13H19N4OS+ and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-amino-2-ethylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol
Also Known As: Ethylthiamine, Ethylthiamine [EP], Thiamine EP Impurity F, Thiamine nitrate impurity F [EP], ETHYLTHIAMINE [EP IMPURITY]
| Molecular Formula | C13H19N4OS+ |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.12796 |
| Heavy Atoms | 19 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 10593-44-9 |
|---|---|
| SMILES | CCC1=NC=C(C(=N1)N)C[N+]2=CSC(=C2C)CCO |
| InChIKey | INLYYXLPQFTQLY-UHFFFAOYSA-N |
Product Overview
Ethylthiamine (CAS 10593-44-9), with molecular formula C13H19N4OS+ and molecular weight 279.13 g/mol. IUPAC: 2-[3-[(4-amino-2-ethylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol.
Chemical Property Profile of Ethylthiamine
Property Insights of Ethylthiamine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylthiamine. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethylthiamine. Following Lipinski's Rule of Five, Ethylthiamine has 2 hydrogen bond donor(s) and 5 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 Ethylthiamine?
The CAS number of Ethylthiamine is 10593-44-9.
What is the molecular formula of Ethylthiamine?
The molecular formula of Ethylthiamine is C13H19N4OS+.
What is the molecular weight of Ethylthiamine?
The molecular weight of Ethylthiamine is 279.13 g/mol.
Where can I buy Ethylthiamine?
You can request a quote for Ethylthiamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylthiamine?
Yes, KEHONG BIO provides custom synthesis services for Ethylthiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.