4-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide
TL;DR: 4-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide (CAS 74450-86-5) is a chemical compound with molecular formula C8H9NO2S and molecular weight 183.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxycarbonyl-1-methylpyridin-1-ium-3-thiolate
Also Known As: 4-(methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide, methyl 1-methyl-3-sulfanylpyridine-4-carboxylate, AJ-333/25022036, 4-methoxycarbonyl-1-methylpyridin-1-ium-3-thiolate, 4-(Methoxycarbonyl)-1-methylpyridin-1-ium-3-thiolate
| Molecular Formula | C8H9NO2S |
|---|---|
| Molecular Weight | 183.04 g/mol |
| LogP | 0.2035 |
| Topological Polar Surface Area | 30.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.0354 |
| Heavy Atoms | 12 |
| Complexity | 311.9262 |
Chemical Identifiers
| CAS Number | 74450-86-5 |
|---|---|
| SMILES | C[N+]1=CC(=C(C=C1)C(=O)OC)[S-] |
Product Overview
4-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide (CAS 74450-86-5), with molecular formula C8H9NO2S and molecular weight 183.04 g/mol. IUPAC: 4-methoxycarbonyl-1-methylpyridin-1-ium-3-thiolate.
Chemical Property Profile of 4-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide
Property Insights of 4-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide
The XLogP value of 0.2035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide. With a topological polar surface area (TPSA) of 30.18 Ų, 4-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide has 0 hydrogen bond donor(s) and 3 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-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide?
The CAS number of 4-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide is 74450-86-5.
What is the molecular formula of 4-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide?
The molecular formula of 4-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide is C8H9NO2S.
What is the molecular weight of 4-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide?
The molecular weight of 4-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide is 183.04 g/mol.
Where can I buy 4-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide?
You can request a quote for 4-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methoxycarbonyl)-1-methyl-3-pyridiniumylsulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.