Thiamine thiazolone pyrophosphate
TL;DR: Thiamine thiazolone pyrophosphate (CAS 614-10-8) is a chemical compound with molecular formula C12H18N4O8P2S and molecular weight 440.03 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-2-oxo-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
Also Known As: Thiamine thiazolone pyrophosphate, diphosphate, 1rp7, Tedizolid Impurity 71, Oxo Thiamine O-Diphosphate
| Molecular Formula | C12H18N4O8P2S |
|---|---|
| Molecular Weight | 440.03 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.03204 |
| Heavy Atoms | 27 |
| Complexity | 701.0 |
Chemical Identifiers
| CAS Number | 614-10-8 |
|---|---|
| SMILES | CC1=C(SC(=O)N1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O |
| InChIKey | ZGJUYGIRPQSCFA-UHFFFAOYSA-N |
Product Overview
Thiamine thiazolone pyrophosphate (CAS 614-10-8), with molecular formula C12H18N4O8P2S and molecular weight 440.03 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate.
Chemical Property Profile of Thiamine thiazolone pyrophosphate
Property Insights of Thiamine thiazolone pyrophosphate
The XLogP value of -2.0 indicates that Thiamine thiazolone pyrophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 211.0 Ų indicates high polarity, suggesting Thiamine thiazolone pyrophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiamine thiazolone 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 Thiamine thiazolone pyrophosphate?
The CAS number of Thiamine thiazolone pyrophosphate is 614-10-8.
What is the molecular formula of Thiamine thiazolone pyrophosphate?
The molecular formula of Thiamine thiazolone pyrophosphate is C12H18N4O8P2S.
What is the molecular weight of Thiamine thiazolone pyrophosphate?
The molecular weight of Thiamine thiazolone pyrophosphate is 440.03 g/mol.
Where can I buy Thiamine thiazolone pyrophosphate?
You can request a quote for Thiamine thiazolone pyrophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiamine thiazolone pyrophosphate?
Yes, KEHONG BIO provides custom synthesis services for Thiamine thiazolone pyrophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.