硫胺素磷酸
TL;DR: 硫胺素磷酸 (CAS 10023-48-0) is a chemical compound with molecular formula C12H18N4O4PS+ and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫胺素磷酸
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate
Also Known As: thiamin phosphate, thiamine monophosphate, Thiamine phosphate, Monophosphothiamine, Monofosfotiamina
| Molecular Formula | C12H18N4O4PS+ |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.07864 |
| Heavy Atoms | 22 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 10023-48-0 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O |
| InChIKey | HZSAJDVWZRBGIF-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫胺素磷酸 (CAS 10023-48-0), with molecular formula C12H18N4O4PS+ and molecular weight 345.08 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate.
Chemical Property Profile of 硫胺素磷酸
Property Insights of 硫胺素磷酸
The XLogP value of -0.1 indicates that 硫胺素磷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.0 Ų indicates high polarity, suggesting 硫胺素磷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硫胺素磷酸 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫胺素磷酸?
The CAS number of 硫胺素磷酸 is 10023-48-0.
What is the molecular formula of 硫胺素磷酸?
The molecular formula of 硫胺素磷酸 is C12H18N4O4PS+.
What is the molecular weight of 硫胺素磷酸?
The molecular weight of 硫胺素磷酸 is 345.08 g/mol.
Where can I buy 硫胺素磷酸?
You can request a quote for 硫胺素磷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫胺素磷酸?
Yes, KEHONG BIO provides custom synthesis services for 硫胺素磷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.