4',5'-Dithiopyridoxine
TL;DR: 4',5'-Dithiopyridoxine (CAS 3613-80-7) is a chemical compound with molecular formula C8H11NOS2 and molecular weight 201.03 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
Also Known As: 4',5'-Dithiopyridoxine, 4,5-Dimercapto-pyridoxin, 4,5-DIMERCAPTOPYRIDOXINE, 4,5-Dimercapto-pyridoxin [German], 3-Pyridinol, 4,5-bis(mercaptomethyl)-2-methyl-
| Molecular Formula | C8H11NOS2 |
|---|---|
| Molecular Weight | 201.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 35.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.02821 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 3613-80-7 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CS)CS |
| InChIKey | WRMLOOFXWYUWNA-UHFFFAOYSA-N |
Product Overview
4',5'-Dithiopyridoxine (CAS 3613-80-7), with molecular formula C8H11NOS2 and molecular weight 201.03 g/mol. IUPAC: 2-methyl-4,5-bis(sulfanylmethyl)pyridin-3-ol.
Chemical Property Profile of 4',5'-Dithiopyridoxine
Property Insights of 4',5'-Dithiopyridoxine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4',5'-Dithiopyridoxine. With a topological polar surface area (TPSA) of 35.1 Ų, 4',5'-Dithiopyridoxine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4',5'-Dithiopyridoxine has 3 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 4',5'-Dithiopyridoxine?
The CAS number of 4',5'-Dithiopyridoxine is 3613-80-7.
What is the molecular formula of 4',5'-Dithiopyridoxine?
The molecular formula of 4',5'-Dithiopyridoxine is C8H11NOS2.
What is the molecular weight of 4',5'-Dithiopyridoxine?
The molecular weight of 4',5'-Dithiopyridoxine is 201.03 g/mol.
Where can I buy 4',5'-Dithiopyridoxine?
You can request a quote for 4',5'-Dithiopyridoxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4',5'-Dithiopyridoxine?
Yes, KEHONG BIO provides custom synthesis services for 4',5'-Dithiopyridoxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.