Imidazolethiamine
TL;DR: Imidazolethiamine (CAS 35443-97-1) is a chemical compound with molecular formula C12H17N5O and molecular weight 247.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-methylimidazol-4-yl]ethanol
Also Known As: Imidazolethiamine, Imidazolothiamine, 1H-Imidazole-4-ethanol, 1-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-methyl-, 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-methylimidazol-4-yl]ethanol, 2-{1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-methyl-1h-imidazol-4-yl}ethanol
| Molecular Formula | C12H17N5O |
|---|---|
| Molecular Weight | 247.14 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.14331 |
| Heavy Atoms | 18 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 35443-97-1 |
|---|---|
| SMILES | CC1=C(N=CN1CC2=CN=C(N=C2N)C)CCO |
| InChIKey | XDMJYDYAKPEKIU-UHFFFAOYSA-N |
Product Overview
Imidazolethiamine (CAS 35443-97-1), with molecular formula C12H17N5O and molecular weight 247.14 g/mol. IUPAC: 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-methylimidazol-4-yl]ethanol.
Chemical Property Profile of Imidazolethiamine
Property Insights of Imidazolethiamine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazolethiamine. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazolethiamine. Following Lipinski's Rule of Five, Imidazolethiamine 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 Imidazolethiamine?
The CAS number of Imidazolethiamine is 35443-97-1.
What is the molecular formula of Imidazolethiamine?
The molecular formula of Imidazolethiamine is C12H17N5O.
What is the molecular weight of Imidazolethiamine?
The molecular weight of Imidazolethiamine is 247.14 g/mol.
Where can I buy Imidazolethiamine?
You can request a quote for Imidazolethiamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazolethiamine?
Yes, KEHONG BIO provides custom synthesis services for Imidazolethiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.