Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate
TL;DR: Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate (CAS 871665-19-9) is a chemical compound with molecular formula C21H16N2O2S and molecular weight 360.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0004157, Phenanthridin-6-ylmethyl 2-(methylthio)nicotinate, phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate, (phenanthridin-6-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C21H16N2O2S |
|---|---|
| Molecular Weight | 360.09 g/mol |
| LogP | 4.8619 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.09326 |
| Heavy Atoms | 26 |
| Complexity | 1111.3176 |
Chemical Identifiers
| CAS Number | 871665-19-9 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42 |
Product Overview
Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate (CAS 871665-19-9), with molecular formula C21H16N2O2S and molecular weight 360.09 g/mol. IUPAC: phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate
Property Insights of Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate
The XLogP value of 4.8619 indicates that Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-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 Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate?
The CAS number of Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate is 871665-19-9.
What is the molecular formula of Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate?
The molecular formula of Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate is C21H16N2O2S.
What is the molecular weight of Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate?
The molecular weight of Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate is 360.09 g/mol.
Where can I buy Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate?
You can request a quote for Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenanthridin-6-ylmethyl 2-methylsulfanylpyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.