3-Pyridinol, 4,5-bis(acetylthiomethyl)-2-methyl-
TL;DR: 3-Pyridinol, 4,5-bis(acetylthiomethyl)-2-methyl- (CAS 78232-26-5) is a chemical compound with molecular formula C12H15NO3S2 and molecular weight 285.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[[4-(acetylsulfanylmethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl] ethanethioate
Also Known As: 4,5-Dimercaptopyridoxin-dithioacetat, 4,5-Dimercaptopyridoxin-dithioacetat [German], 3-Pyridinol, 4,5-bis(acetylthiomethyl)-2-methyl-, 4-21-00-02518 (Beilstein Handbook Reference), 2-Methyl-3-hydroxy-4,5-diacetylmercaptomethyl-pyridin
| Molecular Formula | C12H15NO3S2 |
|---|---|
| Molecular Weight | 285.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.04935 |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 78232-26-5 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CSC(=O)C)CSC(=O)C |
| InChIKey | ARDUHCGSOAFUTR-UHFFFAOYSA-N |
Product Overview
3-Pyridinol, 4,5-bis(acetylthiomethyl)-2-methyl- (CAS 78232-26-5), with molecular formula C12H15NO3S2 and molecular weight 285.05 g/mol. IUPAC: S-[[4-(acetylsulfanylmethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl] ethanethioate.
Chemical Property Profile of 3-Pyridinol, 4,5-bis(acetylthiomethyl)-2-methyl-
Property Insights of 3-Pyridinol, 4,5-bis(acetylthiomethyl)-2-methyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinol, 4,5-bis(acetylthiomethyl)-2-methyl-. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinol, 4,5-bis(acetylthiomethyl)-2-methyl-. Following Lipinski's Rule of Five, 3-Pyridinol, 4,5-bis(acetylthiomethyl)-2-methyl- has 1 hydrogen bond donor(s) and 6 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-bis(acetylthiomethyl)-2-methyl-?
The CAS number of 3-Pyridinol, 4,5-bis(acetylthiomethyl)-2-methyl- is 78232-26-5.
What is the molecular formula of 3-Pyridinol, 4,5-bis(acetylthiomethyl)-2-methyl-?
The molecular formula of 3-Pyridinol, 4,5-bis(acetylthiomethyl)-2-methyl- is C12H15NO3S2.
What is the molecular weight of 3-Pyridinol, 4,5-bis(acetylthiomethyl)-2-methyl-?
The molecular weight of 3-Pyridinol, 4,5-bis(acetylthiomethyl)-2-methyl- is 285.05 g/mol.
Where can I buy 3-Pyridinol, 4,5-bis(acetylthiomethyl)-2-methyl-?
You can request a quote for 3-Pyridinol, 4,5-bis(acetylthiomethyl)-2-methyl- 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-bis(acetylthiomethyl)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinol, 4,5-bis(acetylthiomethyl)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.