盐酸硫胺素磷酸酯
TL;DR: 盐酸硫胺素磷酸酯 (CAS 16277-48-8) is a chemical compound with molecular formula C14H27Cl2N4O4PS and molecular weight 448.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
盐酸硫胺素磷酸酯
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate;methane;chloride;hydrochloride
Also Known As: Thiamine hydrochloride phosphate, Thiamine phosphate hydrochloride, Thiamine phophate hydrochloride dihydrate, Thiamine monophosphate monohydrochloride dihydrate, Thiamine, dihydrogen phosphate (ester), monohydrochloride
| Molecular Formula | C14H27Cl2N4O4PS |
|---|---|
| Molecular Weight | 448.09 g/mol |
| LogP | -0.58 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.08676 |
| Heavy Atoms | 26 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 16277-48-8 |
|---|---|
| SMILES | C.C.CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.Cl.[Cl-] |
| InChIKey | KHMMMABMZJZQDE-UHFFFAOYSA-N |
Product Overview
盐酸硫胺素磷酸酯 (CAS 16277-48-8), with molecular formula C14H27Cl2N4O4PS and molecular weight 448.09 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate;methane;chloride;hydrochloride.
Chemical Property Profile of 盐酸硫胺素磷酸酯
Property Insights of 盐酸硫胺素磷酸酯
The XLogP value of -0.58 indicates that 盐酸硫胺素磷酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.0 Ų indicates high polarity, suggesting 盐酸硫胺素磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 盐酸硫胺素磷酸酯 has 4 hydrogen bond donor(s) and 9 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 盐酸硫胺素磷酸酯?
The CAS number of 盐酸硫胺素磷酸酯 is 16277-48-8.
What is the molecular formula of 盐酸硫胺素磷酸酯?
The molecular formula of 盐酸硫胺素磷酸酯 is C14H27Cl2N4O4PS.
What is the molecular weight of 盐酸硫胺素磷酸酯?
The molecular weight of 盐酸硫胺素磷酸酯 is 448.09 g/mol.
Where can I buy 盐酸硫胺素磷酸酯?
You can request a quote for 盐酸硫胺素磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 盐酸硫胺素磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 盐酸硫胺素磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.