Thiamine Pyrophosphate
TL;DR: Thiamine Pyrophosphate (CAS 136-09-4) is a chemical compound with molecular formula C12H18N4O7P2S and molecular weight 424.04 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-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] hydrogen phosphate
Also Known As: Thiamine pyrophosphate, cocarboxylase, thiamin pyrophosphate, Berolase, thiamine diphosphate
| Molecular Formula | C12H18N4O7P2S |
|---|---|
| Molecular Weight | 424.04 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.03714 |
| Heavy Atoms | 26 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 136-09-4 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)[O-] |
| InChIKey | AYEKOFBPNLCAJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiamine Pyrophosphate (CAS 136-09-4), with molecular formula C12H18N4O7P2S and molecular weight 424.04 g/mol. IUPAC: [2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] hydrogen phosphate.
Chemical Property Profile of Thiamine Pyrophosphate
Property Insights of Thiamine Pyrophosphate
The XLogP value of -1.2 indicates that Thiamine Pyrophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.0 Ų indicates high polarity, suggesting Thiamine Pyrophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiamine Pyrophosphate has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiamine Pyrophosphate?
The CAS number of Thiamine Pyrophosphate is 136-09-4.
What is the molecular formula of Thiamine Pyrophosphate?
The molecular formula of Thiamine Pyrophosphate is C12H18N4O7P2S.
What is the molecular weight of Thiamine Pyrophosphate?
The molecular weight of Thiamine Pyrophosphate is 424.04 g/mol.
Where can I buy Thiamine Pyrophosphate?
You can request a quote for Thiamine Pyrophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiamine Pyrophosphate?
Yes, KEHONG BIO provides custom synthesis services for Thiamine Pyrophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.