Cetotiamine
TL;DR: Cetotiamine (CAS 137-76-8) is a chemical compound with molecular formula C18H26N4O6S and molecular weight 426.15732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl [2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-ethoxycarbonyloxypent-2-en-3-yl]sulfanylformate
Also Known As: Cetotiamine, ethyl [(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla, ethyl [2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-ethoxycarbonyloxypent-2-en-3-yl]sulfanylformate, (3Z)-4-{[(4-Amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-[(ethoxycarbonyl)sulfanyl]pent-3-en-1-yl ethyl carbonate, 4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-[(ethoxycarbonyl)sulfanyl]pent-3-en-1-yl ethyl carbonate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H26N4O6S |
| Molecular Weight | 426.15732 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 426.15732 Da |
| Heavy Atoms | 29 |
| Complexity | 589.0 |
| SMILES | CCOC(=O)OCCC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)SC(=O)OCC |
| InChIKey | YBROOZNJUDHTGE-UHFFFAOYSA-N |
Product Description
Applications: Cetotiamine is used in pharmaceutical synthesis routes and API production, as well as catalysis, accelerating transformations in both laboratory and industrial settings. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Cetotiamine (CAS 137-76-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Cetotiamine (CAS 137-76-8) is a pharmaceutical intermediate with the molecular formula C18H26N4O6S and a molecular weight of 426.16 g/mol. It is also known as Cetotiamine and ethyl [(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Cetotiamine
Property Insights of Cetotiamine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cetotiamine. The TPSA of 159.0 Ų indicates high polarity, suggesting Cetotiamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cetotiamine has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cetotiamine?
The CAS number of Cetotiamine is 137-76-8.
What is the molecular formula of Cetotiamine?
The molecular formula of Cetotiamine is C18H26N4O6S.
What is the molecular weight of Cetotiamine?
The molecular weight of Cetotiamine is 426.15732 g/mol.
What are the applications of Cetotiamine?
Cetotiamine is used in pharmaceutical synthesis routes and API production, as well as catalysis, accelerating transformations in both laboratory and industrial settings. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Cetotiamine (CAS 137-76-8) with...
Where can I buy Cetotiamine?
You can request a quote for Cetotiamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cetotiamine?
Yes, CoreyChem provides custom synthesis services for Cetotiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.