(3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone
TL;DR: (3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone (CAS 544465-64-7) is a chemical compound with molecular formula C13H9ClN2OS and molecular weight 276.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone
Also Known As: (3-chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone, (3-chloro-6-methyl-1-benzothiophen-2-yl)(1H-pyrazol-1-yl)methanone, 3-chloro-6-methylbenzo[b]thiophen-2-yl pyrazolyl ketone, 1-[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]-1H-pyrazole
| Molecular Formula | C13H9ClN2OS |
|---|---|
| Molecular Weight | 276.01 g/mol |
| LogP | 3.74812 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.01242 |
| Heavy Atoms | 18 |
| Complexity | 730.872 |
Chemical Identifiers
| CAS Number | 544465-64-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3C=CC=N3)Cl |
Product Overview
(3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone (CAS 544465-64-7), with molecular formula C13H9ClN2OS and molecular weight 276.01 g/mol. IUPAC: (3-chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone.
Chemical Property Profile of (3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone
Property Insights of (3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone
The XLogP value of 3.74812 indicates that (3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, (3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone 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 (3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone?
The CAS number of (3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone is 544465-64-7.
What is the molecular formula of (3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone?
The molecular formula of (3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone is C13H9ClN2OS.
What is the molecular weight of (3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone?
The molecular weight of (3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone is 276.01 g/mol.
Where can I buy (3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone?
You can request a quote for (3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloro-6-methyl-1-benzothiophen-2-yl)-pyrazol-1-ylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.