2-(alpha-Hydroxyethyl)thiamine diphosphate
TL;DR: 2-(alpha-Hydroxyethyl)thiamine diphosphate (CAS 10055-47-7) is a chemical compound with molecular formula C14H23N4O8P2S+ and molecular weight 469.07 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]-2-(1-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
Also Known As: 2-Hydroxyethyl-ThPP, Thiazolium, 2-(1-hydroxyethyl)thiamine diphosphate, 2-(alpha-Hydroxyethyl)thiamine diphosphate, 2-ACETYL-THIAMINE DIPHOSPHATE
| Molecular Formula | C14H23N4O8P2S+ |
|---|---|
| Molecular Weight | 469.07 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 469.0712 |
| Heavy Atoms | 29 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 10055-47-7 |
|---|---|
| SMILES | CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(C)O)CCOP(=O)(O)OP(=O)(O)O |
| InChIKey | RRUVJGASJONMDY-UHFFFAOYSA-O |
Product Overview
2-(alpha-Hydroxyethyl)thiamine diphosphate (CAS 10055-47-7), with molecular formula C14H23N4O8P2S+ and molecular weight 469.07 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate.
Chemical Property Profile of 2-(alpha-Hydroxyethyl)thiamine diphosphate
Property Insights of 2-(alpha-Hydroxyethyl)thiamine diphosphate
The XLogP value of -1.6 indicates that 2-(alpha-Hydroxyethyl)thiamine diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 217.0 Ų indicates high polarity, suggesting 2-(alpha-Hydroxyethyl)thiamine diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(alpha-Hydroxyethyl)thiamine diphosphate has 5 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 2-(alpha-Hydroxyethyl)thiamine diphosphate?
The CAS number of 2-(alpha-Hydroxyethyl)thiamine diphosphate is 10055-47-7.
What is the molecular formula of 2-(alpha-Hydroxyethyl)thiamine diphosphate?
The molecular formula of 2-(alpha-Hydroxyethyl)thiamine diphosphate is C14H23N4O8P2S+.
What is the molecular weight of 2-(alpha-Hydroxyethyl)thiamine diphosphate?
The molecular weight of 2-(alpha-Hydroxyethyl)thiamine diphosphate is 469.07 g/mol.
Where can I buy 2-(alpha-Hydroxyethyl)thiamine diphosphate?
You can request a quote for 2-(alpha-Hydroxyethyl)thiamine diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(alpha-Hydroxyethyl)thiamine diphosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-(alpha-Hydroxyethyl)thiamine diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.