Pyridoxin-5-thioaether dihydrochlorid hydrat
TL;DR: Pyridoxin-5-thioaether dihydrochlorid hydrat (CAS 74050-94-5) is a chemical compound with molecular formula C16H24Cl2N2O5S and molecular weight 426.08 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;hydrate;dihydrochloride
Also Known As: Pyridoxin-5-thioaether dihydrochlorid hydrat, Pyridoxin-5-thioaether dihydrochlorid hydrat [German], 4-Pyridinemethanol, 3,3'-thiodimethylenebis(5-hydroxy-6-methyl-, dihydrochloride, hydrate, 3,3'-Thiodimethylenebis(5-hydroxy-6-methyl-4-pyridinemethanol) dihydrochloride hydrate, 5,5'-Thiodimethylenebis(2-methyl-3-hydroxy-4-hydroxymethylpyridine) dihydrochloride hydrate
| Molecular Formula | C16H24Cl2N2O5S |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 1.94154 |
| Topological Polar Surface Area | 138.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.0783 |
| Heavy Atoms | 26 |
| Complexity | 660.02484 |
Chemical Identifiers
| CAS Number | 74050-94-5 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CO)CSCC2=CN=C(C(=C2CO)O)C.O.Cl.Cl |
Product Overview
Pyridoxin-5-thioaether dihydrochlorid hydrat (CAS 74050-94-5), with molecular formula C16H24Cl2N2O5S and molecular weight 426.08 g/mol. IUPAC: 5-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylsulfanylmethyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol;hydrate;dihydrochloride.
Chemical Property Profile of Pyridoxin-5-thioaether dihydrochlorid hydrat
Property Insights of Pyridoxin-5-thioaether dihydrochlorid hydrat
The XLogP value of 1.94154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridoxin-5-thioaether dihydrochlorid hydrat. The TPSA of 138.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridoxin-5-thioaether dihydrochlorid hydrat. Following Lipinski's Rule of Five, Pyridoxin-5-thioaether dihydrochlorid hydrat 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 Pyridoxin-5-thioaether dihydrochlorid hydrat?
The CAS number of Pyridoxin-5-thioaether dihydrochlorid hydrat is 74050-94-5.
What is the molecular formula of Pyridoxin-5-thioaether dihydrochlorid hydrat?
The molecular formula of Pyridoxin-5-thioaether dihydrochlorid hydrat is C16H24Cl2N2O5S.
What is the molecular weight of Pyridoxin-5-thioaether dihydrochlorid hydrat?
The molecular weight of Pyridoxin-5-thioaether dihydrochlorid hydrat is 426.08 g/mol.
Where can I buy Pyridoxin-5-thioaether dihydrochlorid hydrat?
You can request a quote for Pyridoxin-5-thioaether dihydrochlorid hydrat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridoxin-5-thioaether dihydrochlorid hydrat?
Yes, KEHONG BIO provides custom synthesis services for Pyridoxin-5-thioaether dihydrochlorid hydrat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.