(2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate
TL;DR: (2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate (CAS 454686-74-9) is a chemical compound with molecular formula C17H14N2O2S2 and molecular weight 342.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0001584, (2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate, (2-phenyl-1,3-thiazol-4-yl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate, (2-phenyl-1,3-thiazol-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
| Molecular Formula | C17H14N2O2S2 |
|---|---|
| Molecular Weight | 342.05 g/mol |
| LogP | 4.284 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.04968 |
| Heavy Atoms | 23 |
| Complexity | 803.11774 |
Chemical Identifiers
| CAS Number | 454686-74-9 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC2=CSC(=N2)C3=CC=CC=C3 |
Product Overview
(2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate (CAS 454686-74-9), with molecular formula C17H14N2O2S2 and molecular weight 342.05 g/mol. IUPAC: (2-phenyl-1,3-thiazol-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of (2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate
Property Insights of (2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate
The XLogP value of 4.284 indicates that (2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, (2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate has 0 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 (2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate?
The CAS number of (2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate is 454686-74-9.
What is the molecular formula of (2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate?
The molecular formula of (2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate is C17H14N2O2S2.
What is the molecular weight of (2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate?
The molecular weight of (2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate is 342.05 g/mol.
Where can I buy (2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate?
You can request a quote for (2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for (2-Phenylthiazol-4-yl)methyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.