ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate
TL;DR: ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate (CAS 254429-64-6) is a chemical compound with molecular formula C14H12ClN3O2S and molecular weight 321.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6-chloro-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxylate
Also Known As: Maybridge1_007468, ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate, ethyl 2-(6-chloro-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxylate, Ethyl 1-(6-chlorobenzo[d]thiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate
| Molecular Formula | C14H12ClN3O2S |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 3.62052 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.03387 |
| Heavy Atoms | 21 |
| Complexity | 824.8485 |
Chemical Identifiers
| CAS Number | 254429-64-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NN1C2=NC3=C(S2)C=C(C=C3)Cl)C |
Product Overview
ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate (CAS 254429-64-6), with molecular formula C14H12ClN3O2S and molecular weight 321.03 g/mol. IUPAC: ethyl 2-(6-chloro-1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxylate.
Chemical Property Profile of ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate
Property Insights of ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate
The XLogP value of 3.62052 indicates that ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-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 ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate?
The CAS number of ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate is 254429-64-6.
What is the molecular formula of ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate?
The molecular formula of ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate is C14H12ClN3O2S.
What is the molecular weight of ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate?
The molecular weight of ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate is 321.03 g/mol.
Where can I buy ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate?
You can request a quote for ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.