Pyrithioxin dihydrochloride
TL;DR: Pyrithioxin dihydrochloride (CAS 10049-83-9) is a chemical compound with molecular formula C16H22Cl2N2O4S2 and molecular weight 440.04 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]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
Also Known As: Pyrithioxin dihydrochloride, Pyrithioxine, Encephabol, Pyrithioxin, Dinerfene
| Molecular Formula | C16H22Cl2N2O4S2 |
|---|---|
| Molecular Weight | 440.04 g/mol |
| LogP | 3.41 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.0398 |
| Heavy Atoms | 26 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 10049-83-9 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C.Cl.Cl |
| InChIKey | HRZWYHGGJOWGRI-UHFFFAOYSA-N |
Product Overview
Pyrithioxin dihydrochloride (CAS 10049-83-9), with molecular formula C16H22Cl2N2O4S2 and molecular weight 440.04 g/mol. IUPAC: 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride.
Chemical Property Profile of Pyrithioxin dihydrochloride
Property Insights of Pyrithioxin dihydrochloride
The XLogP value of 3.41 indicates that Pyrithioxin dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting Pyrithioxin dihydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrithioxin dihydrochloride has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrithioxin dihydrochloride?
The CAS number of Pyrithioxin dihydrochloride is 10049-83-9.
What is the molecular formula of Pyrithioxin dihydrochloride?
The molecular formula of Pyrithioxin dihydrochloride is C16H22Cl2N2O4S2.
What is the molecular weight of Pyrithioxin dihydrochloride?
The molecular weight of Pyrithioxin dihydrochloride is 440.04 g/mol.
Where can I buy Pyrithioxin dihydrochloride?
You can request a quote for Pyrithioxin dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrithioxin dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyrithioxin dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.