RefChem:283253
TL;DR: RefChem:283253 (CAS 107089-86-1) is a chemical compound with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-5-methyl-4H-pyrazol-3-one
Also Known As: 2-(4-ethyl-1,1-dioxo-1, 3H-Pyrazol-3-one, 2,4-dihydro-2-(4-ethyl-4H-1,2,4-benzothiadiazin-3-yl)-5-methyl-, S,S-dioxide, 2,4-Dihydro-2-(4-ethyl-4H-1,2,4-benzothiadiazin-3-yl)-5-methyl-3H-pyrazol-3-one S,S-dioxide, 4-Ethyl-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione, BRN 5609120
| Molecular Formula | C13H14N4O3S |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 1.1794 |
| Topological Polar Surface Area | 82.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.07867 |
| Heavy Atoms | 21 |
| Complexity | 782.361 |
Chemical Identifiers
| CAS Number | 107089-86-1 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2S(=O)(=O)N=C1N3C(=O)CC(=N3)C |
Product Overview
RefChem:283253 (CAS 107089-86-1), with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol. IUPAC: 2-(4-ethyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of RefChem:283253
Property Insights of RefChem:283253
The XLogP value of 1.1794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:283253. The TPSA of 82.41 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:283253. Following Lipinski's Rule of Five, RefChem:283253 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:283253?
The CAS number of RefChem:283253 is 107089-86-1.
What is the molecular formula of RefChem:283253?
The molecular formula of RefChem:283253 is C13H14N4O3S.
What is the molecular weight of RefChem:283253?
The molecular weight of RefChem:283253 is 306.08 g/mol.
Where can I buy RefChem:283253?
You can request a quote for RefChem:283253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283253?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.