![1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole structure](/static/products/7815/78154-95-7.webp)
1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole
TL;DR: 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole (CAS 78154-95-7) is a chemical compound with molecular formula C14H11ClN2OS and molecular weight 290.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
Also Known As: 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole, (3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone, 3,5-dimethylpyrazolyl 3-chlorobenzo[b]thiophen-2-yl ketone, A2028/0085130, Benzothiophene, 3-chloro-2-(3,5-dimethyl-1-pyrazolyl)carbonyl-
| Molecular Formula | C14H11ClN2OS |
|---|---|
| Molecular Weight | 290.03 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.02808 |
| Heavy Atoms | 19 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 78154-95-7 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C2=C(C3=CC=CC=C3S2)Cl)C |
| InChIKey | NRUODJOYKTWEPO-UHFFFAOYSA-N |
Product Overview
1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole (CAS 78154-95-7), with molecular formula C14H11ClN2OS and molecular weight 290.03 g/mol. IUPAC: (3-chloro-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone.
Chemical Property Profile of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole
Property Insights of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole
The XLogP value of 4.6 indicates that 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole. Following Lipinski's Rule of Five, 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole has 0 hydrogen bond donor(s) and 3 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 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole?
The CAS number of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole is 78154-95-7.
What is the molecular formula of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole?
The molecular formula of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole is C14H11ClN2OS.
What is the molecular weight of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole?
The molecular weight of 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole is 290.03 g/mol.
Where can I buy 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole?
You can request a quote for 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Chloro-1-benzothien-2-yl)carbonyl]-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.