Oxo Thiamine
TL;DR: Oxo Thiamine (CAS 490-82-4) is a chemical compound with molecular formula C12H16N4O2S and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one
Also Known As: Oxo Thiamine, Thiamine thiazolone, Thiaminthiazolone, Tiamintiazolone, Thiamin Thiazolone
| Molecular Formula | C12H16N4O2S |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.0994 |
| Heavy Atoms | 19 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 490-82-4 |
|---|---|
| SMILES | CC1=C(SC(=O)N1CC2=CN=C(N=C2N)C)CCO |
| InChIKey | VXCONGLPCAPYEU-UHFFFAOYSA-N |
Product Overview
Oxo Thiamine (CAS 490-82-4), with molecular formula C12H16N4O2S and molecular weight 280.10 g/mol. IUPAC: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one.
Chemical Property Profile of Oxo Thiamine
Property Insights of Oxo Thiamine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxo Thiamine. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxo Thiamine. Following Lipinski's Rule of Five, Oxo Thiamine has 2 hydrogen bond donor(s) and 6 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 Oxo Thiamine?
The CAS number of Oxo Thiamine is 490-82-4.
What is the molecular formula of Oxo Thiamine?
The molecular formula of Oxo Thiamine is C12H16N4O2S.
What is the molecular weight of Oxo Thiamine?
The molecular weight of Oxo Thiamine is 280.10 g/mol.
Where can I buy Oxo Thiamine?
You can request a quote for Oxo Thiamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxo Thiamine?
Yes, KEHONG BIO provides custom synthesis services for Oxo Thiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.