5-Thiopyridoxine
TL;DR: 5-Thiopyridoxine (CAS 1562-74-9) is a chemical compound with molecular formula C16H20N2O4S and molecular weight 336.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanylmethyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
Also Known As: 5-Thiopyridoxine, 3,3'-(Thiodimethylene)bis(5-hydroxy-6-methyl-4-pyridinemethanol), 4-Pyridinemethanol, 3,3'-(thiodimethylene)bis(5-hydroxy-6-methyl-, 5-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methylsulfanylmethyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol, 5,5'-[Sulfanediylbis(methylene)]bis[4-(hydroxymethyl)-2-methylpyridin-3-ol]
| Molecular Formula | C16H20N2O4S |
|---|---|
| Molecular Weight | 336.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.11438 |
| Heavy Atoms | 23 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 1562-74-9 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CO)CSCC2=CN=C(C(=C2CO)O)C |
| InChIKey | RFTLJJQZOSWJGE-UHFFFAOYSA-N |
Product Overview
5-Thiopyridoxine (CAS 1562-74-9), with molecular formula C16H20N2O4S and molecular weight 336.11 g/mol. IUPAC: 5-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanylmethyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol.
Chemical Property Profile of 5-Thiopyridoxine
Property Insights of 5-Thiopyridoxine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Thiopyridoxine. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Thiopyridoxine. Following Lipinski's Rule of Five, 5-Thiopyridoxine has 4 hydrogen bond donor(s) and 7 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 5-Thiopyridoxine?
The CAS number of 5-Thiopyridoxine is 1562-74-9.
What is the molecular formula of 5-Thiopyridoxine?
The molecular formula of 5-Thiopyridoxine is C16H20N2O4S.
What is the molecular weight of 5-Thiopyridoxine?
The molecular weight of 5-Thiopyridoxine is 336.11 g/mol.
Where can I buy 5-Thiopyridoxine?
You can request a quote for 5-Thiopyridoxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Thiopyridoxine?
Yes, KEHONG BIO provides custom synthesis services for 5-Thiopyridoxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.