Pyridoxine 5-thioacetate
TL;DR: Pyridoxine 5-thioacetate (CAS 21907-94-8) is a chemical compound with molecular formula C10H13NO3S and molecular weight 227.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl] ethanethioate
Also Known As: Pyridoxine 5-thioacetate, 5-Mercapto-pyridoxin-thioacetat, 5-Mercapto-pyridoxin-thioacetat [German], 5-21-05-00502 (Beilstein Handbook Reference), 5-Acetylthiomethyl-3-hydroxy-2-methyl-4-pyridinemethanol
| Molecular Formula | C10H13NO3S |
|---|---|
| Molecular Weight | 227.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.06161 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 21907-94-8 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CO)CSC(=O)C |
| InChIKey | RYECBGOLQYHLED-UHFFFAOYSA-N |
Product Overview
Pyridoxine 5-thioacetate (CAS 21907-94-8), with molecular formula C10H13NO3S and molecular weight 227.06 g/mol. IUPAC: S-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl] ethanethioate.
Chemical Property Profile of Pyridoxine 5-thioacetate
Property Insights of Pyridoxine 5-thioacetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridoxine 5-thioacetate. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridoxine 5-thioacetate. Following Lipinski's Rule of Five, Pyridoxine 5-thioacetate has 2 hydrogen bond donor(s) and 5 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 Pyridoxine 5-thioacetate?
The CAS number of Pyridoxine 5-thioacetate is 21907-94-8.
What is the molecular formula of Pyridoxine 5-thioacetate?
The molecular formula of Pyridoxine 5-thioacetate is C10H13NO3S.
What is the molecular weight of Pyridoxine 5-thioacetate?
The molecular weight of Pyridoxine 5-thioacetate is 227.06 g/mol.
Where can I buy Pyridoxine 5-thioacetate?
You can request a quote for Pyridoxine 5-thioacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridoxine 5-thioacetate?
Yes, KEHONG BIO provides custom synthesis services for Pyridoxine 5-thioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.