Methyl 6-phenacylsulfanylpyridine-2-carboxylate
TL;DR: Methyl 6-phenacylsulfanylpyridine-2-carboxylate (CAS 339014-72-1) is a chemical compound with molecular formula C15H13NO3S and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-phenacylsulfanylpyridine-2-carboxylate
Also Known As: methyl 6-phenacylsulfanylpyridine-2-carboxylate, Methyl 6-[(2-oxo-2-phenylethyl)thio]-2-pyridinecarboxylate, AJ-333/36117010, methyl 6-[(2-oxo-2-phenylethyl)sulfanyl]-2-pyridinecarboxylate, Methyl 6-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-2-carboxylate
| Molecular Formula | C15H13NO3S |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 2.8432 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.0616 |
| Heavy Atoms | 20 |
| Complexity | 613.5255 |
Chemical Identifiers
| CAS Number | 339014-72-1 |
|---|---|
| SMILES | COC(=O)C1=NC(=CC=C1)SCC(=O)C2=CC=CC=C2 |
Product Overview
Methyl 6-phenacylsulfanylpyridine-2-carboxylate (CAS 339014-72-1), with molecular formula C15H13NO3S and molecular weight 287.06 g/mol. IUPAC: methyl 6-phenacylsulfanylpyridine-2-carboxylate.
Chemical Property Profile of Methyl 6-phenacylsulfanylpyridine-2-carboxylate
Property Insights of Methyl 6-phenacylsulfanylpyridine-2-carboxylate
The XLogP value of 2.8432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-phenacylsulfanylpyridine-2-carboxylate. With a topological polar surface area (TPSA) of 56.26 Ų, Methyl 6-phenacylsulfanylpyridine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-phenacylsulfanylpyridine-2-carboxylate has 0 hydrogen bond donor(s) and 5 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 Methyl 6-phenacylsulfanylpyridine-2-carboxylate?
The CAS number of Methyl 6-phenacylsulfanylpyridine-2-carboxylate is 339014-72-1.
What is the molecular formula of Methyl 6-phenacylsulfanylpyridine-2-carboxylate?
The molecular formula of Methyl 6-phenacylsulfanylpyridine-2-carboxylate is C15H13NO3S.
What is the molecular weight of Methyl 6-phenacylsulfanylpyridine-2-carboxylate?
The molecular weight of Methyl 6-phenacylsulfanylpyridine-2-carboxylate is 287.06 g/mol.
Where can I buy Methyl 6-phenacylsulfanylpyridine-2-carboxylate?
You can request a quote for Methyl 6-phenacylsulfanylpyridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-phenacylsulfanylpyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-phenacylsulfanylpyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.