Thiamine monophosphate bis(glucosamine)
TL;DR: Thiamine monophosphate bis(glucosamine) (CAS 23825-28-7) is a chemical compound with molecular formula C24H44ClN6O14PS and molecular weight 738.21 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]ethyl dihydrogen phosphate;bis((2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal);chloride
Also Known As: Thiamine monophosphate bis(glucosamine), Thiamine chloride ester monophosphate of bis(glucosamine), 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium chloride- 2-amino-2-deoxy-d-glucose(1:1:2), D-Glucose, 2-amino-2-deoxy-, compd. with 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)thiazolium chloride (2:1), 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1-thia-3-azoniacyclopenta-2,4-dien-5-yl]ethoxyphosphonic acid; (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxy-hexanal; chloride
| Molecular Formula | C24H44ClN6O14PS |
|---|---|
| Molecular Weight | 738.21 g/mol |
| LogP | -9.09606 |
| Topological Polar Surface Area | 399.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 16 |
| Exact Mass | 738.20624 |
| Heavy Atoms | 47 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 23825-28-7 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.C([C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)O.[Cl-] |
| InChIKey | MPZCYTLJPBYUBV-XPUIWAAWSA-N |
Product Overview
Thiamine monophosphate bis(glucosamine) (CAS 23825-28-7), with molecular formula C24H44ClN6O14PS and molecular weight 738.21 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate;bis((2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal);chloride.
Chemical Property Profile of Thiamine monophosphate bis(glucosamine)
Property Insights of Thiamine monophosphate bis(glucosamine)
The XLogP value of -9.09606 indicates that Thiamine monophosphate bis(glucosamine) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 399.0 Ų indicates high polarity, suggesting Thiamine monophosphate bis(glucosamine) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiamine monophosphate bis(glucosamine) has 13 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiamine monophosphate bis(glucosamine)?
The CAS number of Thiamine monophosphate bis(glucosamine) is 23825-28-7.
What is the molecular formula of Thiamine monophosphate bis(glucosamine)?
The molecular formula of Thiamine monophosphate bis(glucosamine) is C24H44ClN6O14PS.
What is the molecular weight of Thiamine monophosphate bis(glucosamine)?
The molecular weight of Thiamine monophosphate bis(glucosamine) is 738.21 g/mol.
Where can I buy Thiamine monophosphate bis(glucosamine)?
You can request a quote for Thiamine monophosphate bis(glucosamine) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiamine monophosphate bis(glucosamine)?
Yes, KEHONG BIO provides custom synthesis services for Thiamine monophosphate bis(glucosamine) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.