![1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl- structure](/static/products/1135/113546-64-8.webp)
1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl-
TL;DR: 1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl- (CAS 113546-64-8) 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-(1,3-benzoxazol-2-ylsulfanyl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
Also Known As: 1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl-, 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3,5-dimethylpyrazol-1-yl)ethanone, 2-(2-Benzoxazolylthio)-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethanone, A0180/0008100, 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethanone
| Molecular Formula | C14H13N3O2S |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.07285 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 113546-64-8 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3O2)C |
| InChIKey | CLJVWENMJSPRNG-UHFFFAOYSA-N |
Product Overview
1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl- (CAS 113546-64-8), with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3,5-dimethylpyrazol-1-yl)ethanone.
Chemical Property Profile of 1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl-
Property Insights of 1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl-
The XLogP value of 3.3 indicates that 1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl-. Following Lipinski's Rule of Five, 1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl- 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 1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl-?
The CAS number of 1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl- is 113546-64-8.
What is the molecular formula of 1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl-?
The molecular formula of 1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl- is C14H13N3O2S.
What is the molecular weight of 1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl-?
The molecular weight of 1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl- is 287.07 g/mol.
Where can I buy 1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl-?
You can request a quote for 1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-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, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole, 1-[(2-benzoxazolylthio)acetyl]-3,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.