Tetrahydrothiamin monophosphate
TL;DR: Tetrahydrothiamin monophosphate (CAS 60689-64-7) is a chemical compound with molecular formula C12H21N4O4PS and molecular weight 348.10 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-thiazolidin-5-yl]ethyl dihydrogen phosphate
Also Known As: Tetrahydrothiamin monophosphate, Tetrahydrothiamine monophosphate, 5-Thiazolidineethanol, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-, dihydrogen phosphate (ester), 3-[ methyl]-4-methyl-5-thiazolidineethanoldihydrogenphosphate, 3-[methyl]-4-methyl-5-thiazolidineethanoldihydrogenphosphate
| Molecular Formula | C12H21N4O4PS |
|---|---|
| Molecular Weight | 348.10 g/mol |
| LogP | 1.13002 |
| Topological Polar Surface Area | 121.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.1021 |
| Heavy Atoms | 22 |
| Complexity | 570.05725 |
Chemical Identifiers
| CAS Number | 60689-64-7 |
|---|---|
| SMILES | CC1C(SCN1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O |
Product Overview
Tetrahydrothiamin monophosphate (CAS 60689-64-7), with molecular formula C12H21N4O4PS and molecular weight 348.10 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethyl dihydrogen phosphate.
Chemical Property Profile of Tetrahydrothiamin monophosphate
Property Insights of Tetrahydrothiamin monophosphate
The XLogP value of 1.13002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydrothiamin monophosphate. The TPSA of 121.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrahydrothiamin monophosphate. Following Lipinski's Rule of Five, Tetrahydrothiamin monophosphate has 3 hydrogen bond donor(s) and 7 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 Tetrahydrothiamin monophosphate?
The CAS number of Tetrahydrothiamin monophosphate is 60689-64-7.
What is the molecular formula of Tetrahydrothiamin monophosphate?
The molecular formula of Tetrahydrothiamin monophosphate is C12H21N4O4PS.
What is the molecular weight of Tetrahydrothiamin monophosphate?
The molecular weight of Tetrahydrothiamin monophosphate is 348.10 g/mol.
Where can I buy Tetrahydrothiamin monophosphate?
You can request a quote for Tetrahydrothiamin monophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydrothiamin monophosphate?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydrothiamin monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.