3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride
TL;DR: 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride (CAS 13331-81-2) is a chemical compound with molecular formula C8H12ClNOS2 and molecular weight 237.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4,5-bis(sulfanylmethyl)pyridin-3-ol;hydrochloride
Also Known As: 4,5-Dimercaptopyridoxin hydrochlorid, 4,5-Dimercaptopyridoxin hydrochlorid [German], 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride, 4,5-Di(mercaptomethyl)-2-methyl-3-pyridinol hydrochloride, 3,4-Pyridinedimethanethiol, 5-hydroxy-6-methyl-, hydrochloride
| Molecular Formula | C8H12ClNOS2 |
|---|---|
| Molecular Weight | 237.00 g/mol |
| LogP | 2.37702 |
| Topological Polar Surface Area | 35.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.00488 |
| Heavy Atoms | 13 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 13331-81-2 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CS)CS.Cl |
| InChIKey | JQZWOAMUOYWBJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride (CAS 13331-81-2), with molecular formula C8H12ClNOS2 and molecular weight 237.00 g/mol. IUPAC: 2-methyl-4,5-bis(sulfanylmethyl)pyridin-3-ol;hydrochloride.
Chemical Property Profile of 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride
Property Insights of 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride
The XLogP value of 2.37702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride. With a topological polar surface area (TPSA) of 35.1 Ų, 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride has 4 hydrogen bond donor(s) and 4 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 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride?
The CAS number of 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride is 13331-81-2.
What is the molecular formula of 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride?
The molecular formula of 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride is C8H12ClNOS2.
What is the molecular weight of 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride?
The molecular weight of 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride is 237.00 g/mol.
Where can I buy 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride?
You can request a quote for 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinol, 4,5-di(mercaptomethyl)-2-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.