Thiamine Nitrate
TL;DR: Thiamine Nitrate (CAS 532-43-4) is a chemical compound with molecular formula C12H17N5O4S and molecular weight 327.10 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]ethanol nitrate
Also Known As: thiamine nitrate, THIAMINE MONONITRATE, Vitamin B1 nitrate, Aneurine mononitrate, Vitamin B1 mononitrate
| Molecular Formula | C12H17N5O4S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 0.37 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.10013 |
| Heavy Atoms | 22 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 532-43-4 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[N+](=O)([O-])[O-] |
| InChIKey | UIERGBJEBXXIGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiamine Nitrate (CAS 532-43-4), with molecular formula C12H17N5O4S and molecular weight 327.10 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol nitrate.
Chemical Property Profile of Thiamine Nitrate
Property Insights of Thiamine Nitrate
The XLogP value of 0.37 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiamine Nitrate. The TPSA of 167.0 Ų indicates high polarity, suggesting Thiamine Nitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiamine Nitrate has 2 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 Thiamine Nitrate?
The CAS number of Thiamine Nitrate is 532-43-4.
What is the molecular formula of Thiamine Nitrate?
The molecular formula of Thiamine Nitrate is C12H17N5O4S.
What is the molecular weight of Thiamine Nitrate?
The molecular weight of Thiamine Nitrate is 327.10 g/mol.
Where can I buy Thiamine Nitrate?
You can request a quote for Thiamine Nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiamine Nitrate?
Yes, KEHONG BIO provides custom synthesis services for Thiamine Nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.