RefChem:283257
TL;DR: RefChem:283257 (CAS 107089-85-0) is a chemical compound with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-4H-pyrazol-3-one
Also Known As: 5-methyl-2-(4-methyl-1,1-dioxo-1, NCI60_003497, 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-methyl-4H-1,2,4-benzothiadiazin-3-yl)-, S,S-dioxide, 3-(3'-Methyl-5'-pyrazolonyl)-4-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide, 5-Methyl-2-(4-methyl-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C12H12N4O3S |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 90.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.06302 |
| Heavy Atoms | 20 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 107089-85-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=NS(=O)(=O)C3=CC=CC=C3N2C |
| InChIKey | CBAOOIHDULCEBQ-UHFFFAOYSA-N |
Product Overview
RefChem:283257 (CAS 107089-85-0), with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol. IUPAC: 5-methyl-2-(4-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-4H-pyrazol-3-one.
Chemical Property Profile of RefChem:283257
Property Insights of RefChem:283257
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:283257. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:283257. Following Lipinski's Rule of Five, RefChem:283257 has 0 hydrogen bond donor(s) and 5 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:283257?
The CAS number of RefChem:283257 is 107089-85-0.
What is the molecular formula of RefChem:283257?
The molecular formula of RefChem:283257 is C12H12N4O3S.
What is the molecular weight of RefChem:283257?
The molecular weight of RefChem:283257 is 292.06 g/mol.
Where can I buy RefChem:283257?
You can request a quote for RefChem:283257 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283257?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283257 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.