2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole
TL;DR: 2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole (CAS 157404-79-0) is a chemical compound with molecular formula C13H13N3S and molecular weight 243.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole
Also Known As: AP-501/42541512, 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-1,3-benzothiazole
| Molecular Formula | C13H13N3S |
|---|---|
| Molecular Weight | 243.08 g/mol |
| LogP | 3.40726 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.08302 |
| Heavy Atoms | 17 |
| Complexity | 693.8231 |
Chemical Identifiers
| CAS Number | 157404-79-0 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)SC(=N2)N3C(=CC(=N3)C)C |
Product Overview
2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole (CAS 157404-79-0), with molecular formula C13H13N3S and molecular weight 243.08 g/mol. IUPAC: 2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole.
Chemical Property Profile of 2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole
Property Insights of 2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole
The XLogP value of 3.40726 indicates that 2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole 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 2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole?
The CAS number of 2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole is 157404-79-0.
What is the molecular formula of 2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole?
The molecular formula of 2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole is C13H13N3S.
What is the molecular weight of 2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole?
The molecular weight of 2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole is 243.08 g/mol.
Where can I buy 2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole?
You can request a quote for 2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.