RefChem:283258
TL;DR: RefChem:283258 (CAS 107089-87-2) is a chemical compound with molecular formula C17H14N4O3S and molecular weight 354.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-yl)-5-methyl-4H-pyrazol-3-one
Also Known As: 2-(1,1-dioxo-4-phenyl-1, 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-phenyl-4H-1,2,4-benzothiadiazin-3-yl)-, S,S-dioxide, 3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-phenyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione, BRN 5634076, RefChem:283258
| Molecular Formula | C17H14N4O3S |
|---|---|
| Molecular Weight | 354.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 90.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.07867 |
| Heavy Atoms | 25 |
| Complexity | 719.0 |
Chemical Identifiers
| CAS Number | 107089-87-2 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=NS(=O)(=O)C3=CC=CC=C3N2C4=CC=CC=C4 |
| InChIKey | IJMXWLDPQZCZMZ-UHFFFAOYSA-N |
Product Overview
RefChem:283258 (CAS 107089-87-2), with molecular formula C17H14N4O3S and molecular weight 354.08 g/mol. IUPAC: 2-(1,1-dioxo-4-phenyl-1λ6,2,4-benzothiadiazin-3-yl)-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of RefChem:283258
Property Insights of RefChem:283258
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:283258. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:283258. Following Lipinski's Rule of Five, RefChem:283258 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:283258?
The CAS number of RefChem:283258 is 107089-87-2.
What is the molecular formula of RefChem:283258?
The molecular formula of RefChem:283258 is C17H14N4O3S.
What is the molecular weight of RefChem:283258?
The molecular weight of RefChem:283258 is 354.08 g/mol.
Where can I buy RefChem:283258?
You can request a quote for RefChem:283258 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283258?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283258 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.