Tetrahydrothiamine pyrophosphate
TL;DR: Tetrahydrothiamine pyrophosphate (CAS 35728-83-7) is a chemical compound with molecular formula C12H22N4O7P2S and molecular weight 428.07 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 phosphono hydrogen phosphate
Also Known As: Tetrahydro-tpp, Tetrahydrothiamine diphosphate, Tetrahydrothiamine pyrophosphate, Tetrahydrothiamin pyrophosphate, 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate
| Molecular Formula | C12H22N4O7P2S |
|---|---|
| Molecular Weight | 428.07 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.06845 |
| Heavy Atoms | 26 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 35728-83-7 |
|---|---|
| SMILES | CC1C(SCN1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O |
| InChIKey | QMLRZDVHAMEWFV-UHFFFAOYSA-N |
Product Overview
Tetrahydrothiamine pyrophosphate (CAS 35728-83-7), with molecular formula C12H22N4O7P2S and molecular weight 428.07 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate.
Chemical Property Profile of Tetrahydrothiamine pyrophosphate
Property Insights of Tetrahydrothiamine pyrophosphate
The XLogP value of -3.7 indicates that Tetrahydrothiamine pyrophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 194.0 Ų indicates high polarity, suggesting Tetrahydrothiamine pyrophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetrahydrothiamine pyrophosphate has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetrahydrothiamine pyrophosphate?
The CAS number of Tetrahydrothiamine pyrophosphate is 35728-83-7.
What is the molecular formula of Tetrahydrothiamine pyrophosphate?
The molecular formula of Tetrahydrothiamine pyrophosphate is C12H22N4O7P2S.
What is the molecular weight of Tetrahydrothiamine pyrophosphate?
The molecular weight of Tetrahydrothiamine pyrophosphate is 428.07 g/mol.
Where can I buy Tetrahydrothiamine pyrophosphate?
You can request a quote for Tetrahydrothiamine pyrophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydrothiamine pyrophosphate?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydrothiamine pyrophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.