1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-
TL;DR: 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl- (CAS 78364-50-8) is a chemical compound with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
Also Known As: 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-, 1-(2-Benzothiazolyl)-3,5-dimethyl-1H-pyrazole-4-acetic acid, 2-(4-Carbonylmethyl-3,5-dimethylpyrazol-1-yl)benzothiazole, [1-(1,3-Benzothiazol-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid, 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
| Molecular Formula | C14H13N3O2S |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 2.72594 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.07285 |
| Heavy Atoms | 20 |
| Complexity | 770.96173 |
Chemical Identifiers
| CAS Number | 78364-50-8 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=NC3=CC=CC=C3S2)C)CC(=O)O |
Product Overview
1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl- (CAS 78364-50-8), with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol. IUPAC: 2-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid.
Chemical Property Profile of 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-
Property Insights of 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-
The XLogP value of 2.72594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-. Following Lipinski's Rule of Five, 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl- has 1 hydrogen bond donor(s) and 4 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 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-?
The CAS number of 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl- is 78364-50-8.
What is the molecular formula of 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-?
The molecular formula of 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl- is C14H13N3O2S.
What is the molecular weight of 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-?
The molecular weight of 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl- is 287.07 g/mol.
Where can I buy 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-?
You can request a quote for 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-4-acetic acid, 1-(2-benzothiazolyl)-3,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.