2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate
TL;DR: 2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate (CAS 400080-98-0) is a chemical compound with molecular formula C13H11ClN2O2S and molecular weight 294.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] cyclopropanecarboxylate
Also Known As: 3H-453S, 2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate, [2-(6-chloropyridin-3-yl)-5-methyl-1,3-thiazol-4-yl] cyclopropanecarboxylate, 2-(6-chloropyridin-3-yl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate
| Molecular Formula | C13H11ClN2O2S |
|---|---|
| Molecular Weight | 294.02 g/mol |
| LogP | 3.48232 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.02298 |
| Heavy Atoms | 19 |
| Complexity | 620.0735 |
Chemical Identifiers
| CAS Number | 400080-98-0 |
|---|---|
| SMILES | CC1=C(N=C(S1)C2=CN=C(C=C2)Cl)OC(=O)C3CC3 |
Product Overview
2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate (CAS 400080-98-0), with molecular formula C13H11ClN2O2S and molecular weight 294.02 g/mol. IUPAC: [2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl] cyclopropanecarboxylate.
Chemical Property Profile of 2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate
Property Insights of 2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate
The XLogP value of 3.48232 indicates that 2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate 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-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate 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 2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate?
The CAS number of 2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate is 400080-98-0.
What is the molecular formula of 2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate?
The molecular formula of 2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate is C13H11ClN2O2S.
What is the molecular weight of 2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate?
The molecular weight of 2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate is 294.02 g/mol.
Where can I buy 2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate?
You can request a quote for 2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl cyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.