RefChem:296898
TL;DR: RefChem:296898 (CAS 107089-82-7) is a chemical compound with molecular formula C13H14N4O2S and molecular weight 290.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dimethylpyrazol-1-yl)-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
Also Known As: NCI60_003495, 3-(3,5-dimethylpyrazol-1-yl)-4-methyl-1, 4H-1,2,4-Benzothiadiazine, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-, 1,1-dioxide, 3-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide, 3-(3',5'-Dimethylpyrazolyl)-4-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
| Molecular Formula | C13H14N4O2S |
|---|---|
| Molecular Weight | 290.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.08374 |
| Heavy Atoms | 20 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 107089-82-7 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NS(=O)(=O)C3=CC=CC=C3N2C)C |
| InChIKey | LLEMGBIWINHBOK-UHFFFAOYSA-N |
Product Overview
RefChem:296898 (CAS 107089-82-7), with molecular formula C13H14N4O2S and molecular weight 290.08 g/mol. IUPAC: 3-(3,5-dimethylpyrazol-1-yl)-4-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.
Chemical Property Profile of RefChem:296898
Property Insights of RefChem:296898
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:296898. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:296898. Following Lipinski's Rule of Five, RefChem:296898 has 0 hydrogen bond donor(s) and 4 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 RefChem:296898?
The CAS number of RefChem:296898 is 107089-82-7.
What is the molecular formula of RefChem:296898?
The molecular formula of RefChem:296898 is C13H14N4O2S.
What is the molecular weight of RefChem:296898?
The molecular weight of RefChem:296898 is 290.08 g/mol.
Where can I buy RefChem:296898?
You can request a quote for RefChem:296898 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:296898?
Yes, KEHONG BIO provides custom synthesis services for RefChem:296898 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.