methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate
TL;DR: methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate (CAS 876866-60-3) is a chemical compound with molecular formula C18H14N4O2S and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenylpyrazole-5-carboxylate
Also Known As: methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate, AB01109503-02, Methyl 4-amino-3-(benzo[d]thiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate, methyl 4-amino-5-(1,3-benzothiazol-2-yl)-2-phenylpyrazole-3-carboxylate, METHYL 4-AMINO-3-(1,3-BENZOTHIAZOL-2-YL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLA+
| Molecular Formula | C18H14N4O2S |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 3.5178 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.08374 |
| Heavy Atoms | 25 |
| Complexity | 1036.3269 |
Chemical Identifiers
| CAS Number | 876866-60-3 |
|---|---|
| SMILES | COC(=O)C1=C(C(=NN1C2=CC=CC=C2)C3=NC4=CC=CC=C4S3)N |
Product Overview
methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate (CAS 876866-60-3), with molecular formula C18H14N4O2S and molecular weight 350.08 g/mol. IUPAC: methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenylpyrazole-5-carboxylate.
Chemical Property Profile of methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate
Property Insights of methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate
The XLogP value of 3.5178 indicates that methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate has 1 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 methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate?
The CAS number of methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate is 876866-60-3.
What is the molecular formula of methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate?
The molecular formula of methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate is C18H14N4O2S.
What is the molecular weight of methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate?
The molecular weight of methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate is 350.08 g/mol.
Where can I buy methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate?
You can request a quote for methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-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 methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-amino-3-(1,3-benzothiazol-2-yl)-1-phenyl-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.