Thiamine diphosphate
TL;DR: Thiamine diphosphate (CAS 136-08-3) is a chemical compound with molecular formula C12H19N4O7P2S+ and molecular weight 425.04498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
Also Known As: cocarboxylase, thiamine diphosphate, Thiamine pyrophosphate, thiamin diphosphate, Coenzymate
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H19N4O7P2S+ |
| Molecular Weight | 425.04498 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 197.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.04498 Da |
| Heavy Atoms | 26 |
| Complexity | 568.0 |
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O |
| InChIKey | AYEKOFBPNLCAJY-UHFFFAOYSA-O |
Product Description
Applications: Thiamine diphosphate is used in biotechnology workflows and life-science research, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A biotechnology compound supplied by CoreyChem, Thiamine diphosphate (CAS 136-08-3) has the molecular formula C12H19N4O7P2S+ and a molecular weight of 425.04 g/mol. Synonyms include cocarboxylase and thiamine diphosphate.
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 Thiamine diphosphate
Property Insights of Thiamine diphosphate
The XLogP value of -1.2 indicates that Thiamine diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 197.0 Ų indicates high polarity, suggesting Thiamine diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiamine diphosphate has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Thiamine diphosphate?
The CAS number of Thiamine diphosphate is 136-08-3.
What is the molecular formula of Thiamine diphosphate?
The molecular formula of Thiamine diphosphate is C12H19N4O7P2S+.
What is the molecular weight of Thiamine diphosphate?
The molecular weight of Thiamine diphosphate is 425.04498 g/mol.
What are the applications of Thiamine diphosphate?
Thiamine diphosphate is used in biotechnology workflows and life-science research, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg...
Where can I buy Thiamine diphosphate?
You can request a quote for Thiamine diphosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thiamine diphosphate?
Yes, CoreyChem provides custom synthesis services for Thiamine diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.