5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate
TL;DR: 5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate (CAS 338398-99-5) is a chemical compound with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) benzoate
Also Known As: 5-methyl-2-(pyridin-3-yl)-1,3-thiazol-4-yl benzoate, 5-methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate, 2H-475S, (5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) benzoate, [5-methyl-2-(3-pyridyl)thiazol-4-yl] benzoate
| Molecular Formula | C16H12N2O2S |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 3.73272 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.06195 |
| Heavy Atoms | 21 |
| Complexity | 754.4628 |
Chemical Identifiers
| CAS Number | 338398-99-5 |
|---|---|
| SMILES | CC1=C(N=C(S1)C2=CN=CC=C2)OC(=O)C3=CC=CC=C3 |
Product Overview
5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate (CAS 338398-99-5), with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol. IUPAC: (5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl) benzoate.
Chemical Property Profile of 5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate
Property Insights of 5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate
The XLogP value of 3.73272 indicates that 5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate 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 5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate?
The CAS number of 5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate is 338398-99-5.
What is the molecular formula of 5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate?
The molecular formula of 5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate is C16H12N2O2S.
What is the molecular weight of 5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate?
The molecular weight of 5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate is 296.06 g/mol.
Where can I buy 5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate?
You can request a quote for 5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(3-pyridinyl)-1,3-thiazol-4-yl benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.