vitamin B1
TL;DR: vitamin B1 (CAS 59-43-8) is a chemical compound with molecular formula C12H17ClN4OS and molecular weight 300.08 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 chloride
Also Known As: vitamin B1, thiamine, thiamin, Thiamine chloride, Thiamine monochloride
| Molecular Formula | C12H17ClN4OS |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | -2.39 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.08115 |
| Heavy Atoms | 19 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 59-43-8 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[Cl-] |
| InChIKey | MYVIATVLJGTBFV-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
vitamin B1 (CAS 59-43-8), with molecular formula C12H17ClN4OS and molecular weight 300.08 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride.
Chemical Property Profile of vitamin B1
Property Insights of vitamin B1
The XLogP value of -2.39 indicates that vitamin B1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for vitamin B1. Following Lipinski's Rule of Five, vitamin B1 has 2 hydrogen bond donor(s) and 6 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 vitamin B1?
The CAS number of vitamin B1 is 59-43-8.
What is the molecular formula of vitamin B1?
The molecular formula of vitamin B1 is C12H17ClN4OS.
What is the molecular weight of vitamin B1?
The molecular weight of vitamin B1 is 300.08 g/mol.
Where can I buy vitamin B1?
You can request a quote for vitamin B1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for vitamin B1?
Yes, KEHONG BIO provides custom synthesis services for vitamin B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.