5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole
TL;DR: 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole (CAS 577784-90-8) is a chemical compound with molecular formula C12H10N2S and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole
Also Known As: 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole, 5-(3-Methylbenzo[b]thiophen-2-yl)-1H-pyrazole, 5-(3-methylbenzothiophen-2-yl)-1H-pyrazole, 1H-Pyrazole,3-(3-methylbenzo[b]thien-2-yl), 3K-049
| Molecular Formula | C12H10N2S |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 3.59982 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.05647 |
| Heavy Atoms | 15 |
| Complexity | 593.1528 |
Chemical Identifiers
| CAS Number | 577784-90-8 |
|---|---|
| SMILES | CC1=C(SC2=CC=CC=C12)C3=CC=NN3 |
Product Overview
5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole (CAS 577784-90-8), with molecular formula C12H10N2S and molecular weight 214.06 g/mol. IUPAC: 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole.
Chemical Property Profile of 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole
Property Insights of 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole
The XLogP value of 3.59982 indicates that 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole has 1 hydrogen bond donor(s) and 2 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 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole?
The CAS number of 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole is 577784-90-8.
What is the molecular formula of 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole?
The molecular formula of 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole is C12H10N2S.
What is the molecular weight of 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole?
The molecular weight of 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole is 214.06 g/mol.
Where can I buy 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole?
You can request a quote for 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.